N'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]propanimidamide

C17H23N3S — CID 123278346

IUPACN'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]propanimidamide
SMILESCC/C(=N\C)N(Cc1cccc(-c2nccs2)c1)C(C)C
InChIInChI=1S/C17H23N3S/c1-5-16(18-4)20(13(2)3)12-14-7-6-8-15(11-14)17-19-9-10-21-17/h6-11,13H,5,12H2,1-4H3/b18-16+
InChIKeyZGVSWXXMOMPPHV-FBMGVBCBSA-N
MW301.46 g/mol
LogP4.46
Rot. Bonds5

About N'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]propanimidamide

N'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]propanimidamide (PubChem CID 123278346) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]propanimidamide.

Molecular Properties

Compound NameN'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]propanimidamide
PubChem CID123278346
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]propanimidamide
SMILESCC/C(=N\C)N(Cc1cccc(-c2nccs2)c1)C(C)C
InChIInChI=1S/C17H23N3S/c1-5-16(18-4)20(13(2)3)12-14-7-6-8-15(11-14)17-19-9-10-21-17/h6-11,13H,5,12H2,1-4H3/b18-16+
InChIKeyZGVSWXXMOMPPHV-FBMGVBCBSA-N
XLogP4.46
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]ethanimidamide
CID 123946042
N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine
CID 173380030
3-(4-bromophenyl)-1-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 90015026
3-(3,5-dichlorophenyl)-1-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 90014455
3-(5-tert-butyl-2-methoxyphenyl)-1-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 90014051
4-methyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pentanamide
CID 144669416
N-benzyl-N-methyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372097
1-(4-methylphenyl)-3-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 90014523
2-(3-propan-2-ylphenyl)-1,3-thiazole
CID 22945701
2-(3-prop-2-enylphenyl)-1,3-thiazole
CID 141281428
N-[3-[3-(1,3-thiazol-2-yl)phenyl]propyl]acetamide
CID 142902094
N,N-diethyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372127

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]propanimidamide?
The IUPAC name of N'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]propanimidamide (CID 123278346) is N'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]propanimidamide.
What is the SMILES notation for N'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]propanimidamide?
The canonical SMILES for N'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]propanimidamide is CC/C(=N\C)N(Cc1cccc(-c2nccs2)c1)C(C)C.
What is the InChIKey of N'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]propanimidamide?
The InChIKey is ZGVSWXXMOMPPHV-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H23N3S/c1-5-16(18-4)20(13(2)3)12-14-7-6-8-15(11-14)17-19-9-10-21-17/h6-11,13H,5,12H2,1-4H3/b18-16+.
What are the key properties of N'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]propanimidamide?
N'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]propanimidamide has a molecular weight of 301.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]propanimidamide is sourced from PubChem (CID 123278346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).