N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]phenyl]cyclopropanecarboxamide

C16H19N3OS — CID 51885246

IUPACN-[4-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]phenyl]cyclopropanecarboxamide
SMILESCc1nc([C@@H](C)Nc2ccc(NC(=O)C3CC3)cc2)cs1
InChIInChI=1S/C16H19N3OS/c1-10(15-9-21-11(2)18-15)17-13-5-7-14(8-6-13)19-16(20)12-3-4-12/h5-10,12,17H,3-4H2,1-2H3,(H,19,20)/t10-/m1/s1
InChIKeyQBWMBZCMEXXOIL-SNVBAGLBSA-N
MW301.42 g/mol
LogP3.97
Rot. Bonds5

About N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]phenyl]cyclopropanecarboxamide

N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 51885246) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID51885246
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-[4-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]phenyl]cyclopropanecarboxamide
SMILESCc1nc([C@@H](C)Nc2ccc(NC(=O)C3CC3)cc2)cs1
InChIInChI=1S/C16H19N3OS/c1-10(15-9-21-11(2)18-15)17-13-5-7-14(8-6-13)19-16(20)12-3-4-12/h5-10,12,17H,3-4H2,1-2H3,(H,19,20)/t10-/m1/s1
InChIKeyQBWMBZCMEXXOIL-SNVBAGLBSA-N
XLogP3.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]carbamate
CID 103936100
N-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]cyclopropanecarboxamide
CID 60971782
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline
CID 43716894
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylaniline
CID 43670202
3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670072
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide
CID 15079946
4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361667
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-3-amine
CID 66351418
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-2-amine
CID 43680346
2-(aminomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 119722070

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]phenyl]cyclopropanecarboxamide (CID 51885246) is N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]phenyl]cyclopropanecarboxamide is Cc1nc([C@@H](C)Nc2ccc(NC(=O)C3CC3)cc2)cs1.
What is the InChIKey of N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is QBWMBZCMEXXOIL-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-10(15-9-21-11(2)18-15)17-13-5-7-14(8-6-13)19-16(20)12-3-4-12/h5-10,12,17H,3-4H2,1-2H3,(H,19,20)/t10-/m1/s1.
What are the key properties of N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]phenyl]cyclopropanecarboxamide?
N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 301.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 51885246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).