N-[4-[2-[2-[[2-fluoro-5-(1-methylcyclopropyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-N'-[4-[2-[2-[(2-fluoro-5-trimethylsilylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]butanediamide

C45H48F2N10O4S2Si — CID 174054920

About N-[4-[2-[2-[[2-fluoro-5-(1-methylcyclopropyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-N'-[4-[2-[2-[(2-fluoro-5-trimethylsilylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]butanediamide

N-[4-[2-[2-[[2-fluoro-5-(1-methylcyclopropyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-N'-[4-[2-[2-[(2-fluoro-5-trimethylsilylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]butanediamide (PubChem CID 174054920) has the molecular formula C45H48F2N10O4S2Si and a molecular weight of 923.16 g/mol. Its IUPAC name is N-[4-[2-[2-[[2-fluoro-5-(1-methylcyclopropyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-N'-[4-[2-[2-[(2-fluoro-5-trimethylsilylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]butanediamide.

Molecular Properties

• Compound Name: N-[4-[2-[2-[[2-fluoro-5-(1-methylcyclopropyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-N'-[4-[2-[2-[(2-fluoro-5-trimethylsilylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]butanediamide
• PubChem CID: 174054920
• Molecular Formula: C45H48F2N10O4S2Si
• Molecular Weight: 923.16 g/mol
• Exact Mass: 922.30
• IUPAC Name: N-[4-[2-[2-[[2-fluoro-5-(1-methylcyclopropyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-N'-[4-[2-[2-[(2-fluoro-5-trimethylsilylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]butanediamide
• SMILES: CC1(c2ccc(F)c(NC(=O)Nc3ncc(CCc4ccnc(NC(=O)CCC(=O)Nc5cc(CCc6cnc(NC(=O)Nc7cc([Si](C)(C)C)ccc7F)s6)ccn5)c4)s3)c2)CC1
• InChI: InChI=1S/C45H48F2N10O4S2Si/c1-45(17-18-45)29-7-11-33(46)35(23-29)52-41(60)56-43-50-25-30(62-43)8-5-27-15-19-48-37(21-27)54-39(58)13-14-40(59)55-38-22-28(16-20-49-38)6-9-31-26-51-44(63-31)57-42(61)53-36-24-32(64(2,3)4)10-12-34(36)47/h7,10-12,15-16,19-26H,5-6,8-9,13-14,17-18H2,1-4H3,(H,48,54,58)(H,49,55,59)(H2,50,52,56,60)(H2,51,53,57,61)
• InChIKey: QAVZMTFNHCXBLB-UHFFFAOYSA-N
• XLogP: 9.48
• TPSA: 192.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	923.16
LogP ≤ 5	9.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[[2-fluoro-5-(1-methylcyclopropyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-N'-[4-[2-[2-[(2-fluoro-5-trimethylsilylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]butanediamide?

The IUPAC name of N-[4-[2-[2-[[2-fluoro-5-(1-methylcyclopropyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-N'-[4-[2-[2-[(2-fluoro-5-trimethylsilylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]butanediamide (CID 174054920) is N-[4-[2-[2-[[2-fluoro-5-(1-methylcyclopropyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-N'-[4-[2-[2-[(2-fluoro-5-trimethylsilylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]butanediamide.

What is the SMILES notation for N-[4-[2-[2-[[2-fluoro-5-(1-methylcyclopropyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-N'-[4-[2-[2-[(2-fluoro-5-trimethylsilylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]butanediamide?

The canonical SMILES for N-[4-[2-[2-[[2-fluoro-5-(1-methylcyclopropyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-N'-[4-[2-[2-[(2-fluoro-5-trimethylsilylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]butanediamide is CC1(c2ccc(F)c(NC(=O)Nc3ncc(CCc4ccnc(NC(=O)CCC(=O)Nc5cc(CCc6cnc(NC(=O)Nc7cc([Si](C)(C)C)ccc7F)s6)ccn5)c4)s3)c2)CC1.

What is the InChIKey of N-[4-[2-[2-[[2-fluoro-5-(1-methylcyclopropyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-N'-[4-[2-[2-[(2-fluoro-5-trimethylsilylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]butanediamide?

The InChIKey is QAVZMTFNHCXBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H48F2N10O4S2Si/c1-45(17-18-45)29-7-11-33(46)35(23-29)52-41(60)56-43-50-25-30(62-43)8-5-27-15-19-48-37(21-27)54-39(58)13-14-40(59)55-38-22-28(16-20-49-38)6-9-31-26-51-44(63-31)57-42(61)53-36-24-32(64(2,3)4)10-12-34(36)47/h7,10-12,15-16,19-26H,5-6,8-9,13-14,17-18H2,1-4H3,(H,48,54,58)(H,49,55,59)(H2,50,52,56,60)(H2,51,53,57,61).

What are the key properties of N-[4-[2-[2-[[2-fluoro-5-(1-methylcyclopropyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-N'-[4-[2-[2-[(2-fluoro-5-trimethylsilylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]butanediamide?

N-[4-[2-[2-[[2-fluoro-5-(1-methylcyclopropyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-N'-[4-[2-[2-[(2-fluoro-5-trimethylsilylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]butanediamide has a molecular weight of 923.16 g/mol, XLogP of 9.48, 17 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[2-[[2-fluoro-5-(1-methylcyclopropyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-N'-[4-[2-[2-[(2-fluoro-5-trimethylsilylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]butanediamide is sourced from PubChem (CID 174054920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).