2-cyano-N-[2-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,3-thiazole-4-carboxamide

C26H30F3N7O4S — CID 177253591

IUPAC2-cyano-N-[2-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,3-thiazole-4-carboxamide
SMILESCOCC(c1ccnc(NC(=O)C(NC(=O)c2csc(C#N)n2)C2CCC(C)CC2)c1)N1C[C@@H](C(F)(F)F)NC1=O
InChIInChI=1S/C26H30F3N7O4S/c1-14-3-5-15(6-4-14)22(35-23(37)17-13-41-21(10-30)32-17)24(38)34-20-9-16(7-8-31-20)18(12-40-2)36-11-19(26(27,28)29)33-25(36)39/h7-9,13-15,18-19,22H,3-6,11-12H2,1-2H3,(H,33,39)(H,35,37)(H,31,34,38)/t14?,15?,18?,19-,22?/m0/s1
InChIKeyVZIUJVAJGKVQRS-IHKAUFTISA-N
MW593.63 g/mol
LogP3.62
Rot. Bonds9

About 2-cyano-N-[2-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,3-thiazole-4-carboxamide

2-cyano-N-[2-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,3-thiazole-4-carboxamide (PubChem CID 177253591) has the molecular formula C26H30F3N7O4S and a molecular weight of 593.63 g/mol. Its IUPAC name is 2-cyano-N-[2-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-cyano-N-[2-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,3-thiazole-4-carboxamide
PubChem CID177253591
Molecular FormulaC26H30F3N7O4S
Molecular Weight593.63 g/mol
Exact Mass593.20
IUPAC Name2-cyano-N-[2-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,3-thiazole-4-carboxamide
SMILESCOCC(c1ccnc(NC(=O)C(NC(=O)c2csc(C#N)n2)C2CCC(C)CC2)c1)N1C[C@@H](C(F)(F)F)NC1=O
InChIInChI=1S/C26H30F3N7O4S/c1-14-3-5-15(6-4-14)22(35-23(37)17-13-41-21(10-30)32-17)24(38)34-20-9-16(7-8-31-20)18(12-40-2)36-11-19(26(27,28)29)33-25(36)39/h7-9,13-15,18-19,22H,3-6,11-12H2,1-2H3,(H,33,39)(H,35,37)(H,31,34,38)/t14?,15?,18?,19-,22?/m0/s1
InChIKeyVZIUJVAJGKVQRS-IHKAUFTISA-N
XLogP3.62
TPSA149.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.63
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-cyano-N-[2-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-cyano-N-[2-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,3-thiazole-4-carboxamide (CID 177253591) is 2-cyano-N-[2-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-cyano-N-[2-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-cyano-N-[2-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,3-thiazole-4-carboxamide is COCC(c1ccnc(NC(=O)C(NC(=O)c2csc(C#N)n2)C2CCC(C)CC2)c1)N1C[C@@H](C(F)(F)F)NC1=O.
What is the InChIKey of 2-cyano-N-[2-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VZIUJVAJGKVQRS-IHKAUFTISA-N. The full InChI is InChI=1S/C26H30F3N7O4S/c1-14-3-5-15(6-4-14)22(35-23(37)17-13-41-21(10-30)32-17)24(38)34-20-9-16(7-8-31-20)18(12-40-2)36-11-19(26(27,28)29)33-25(36)39/h7-9,13-15,18-19,22H,3-6,11-12H2,1-2H3,(H,33,39)(H,35,37)(H,31,34,38)/t14?,15?,18?,19-,22?/m0/s1.
What are the key properties of 2-cyano-N-[2-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,3-thiazole-4-carboxamide?
2-cyano-N-[2-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 593.63 g/mol, XLogP of 3.62, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 177253591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).