2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-cyclopropylbenzamide

C14H14ClN3OS — CID 168579845

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccccc1NCc1cnc(Cl)s1
InChIInChI=1S/C14H14ClN3OS/c15-14-17-8-10(20-14)7-16-12-4-2-1-3-11(12)13(19)18-9-5-6-9/h1-4,8-9,16H,5-7H2,(H,18,19)
InChIKeySKBFIHGOWQRRAQ-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.30
Rot. Bonds5

About 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-cyclopropylbenzamide

2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-cyclopropylbenzamide (PubChem CID 168579845) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-cyclopropylbenzamide
PubChem CID168579845
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccccc1NCc1cnc(Cl)s1
InChIInChI=1S/C14H14ClN3OS/c15-14-17-8-10(20-14)7-16-12-4-2-1-3-11(12)13(19)18-9-5-6-9/h1-4,8-9,16H,5-7H2,(H,18,19)
InChIKeySKBFIHGOWQRRAQ-UHFFFAOYSA-N
XLogP3.30
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-2,2,2-trifluoroethanone
CID 168580944
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-prop-2-ynylbenzamide
CID 168580254
N-[2-(4-tert-butylphenoxy)ethyl]-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzamide
CID 168583738
[5-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-phenylmethanone
CID 168580354
[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenyl]-phenylmethanone
CID 168580202
N-cyclooctyl-2-(propylamino)benzamide
CID 63500402
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-cyclohexyloxyaniline
CID 168583349
1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol
CID 168580176
methyl 3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-phenylbenzoate
CID 168581543
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
(4-nitrophenyl) 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoate
CID 168581210
N-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]cyclopentanecarboxamide
CID 168584196

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-cyclopropylbenzamide?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-cyclopropylbenzamide (CID 168579845) is 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-cyclopropylbenzamide?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-cyclopropylbenzamide is O=C(NC1CC1)c1ccccc1NCc1cnc(Cl)s1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-cyclopropylbenzamide?
The InChIKey is SKBFIHGOWQRRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c15-14-17-8-10(20-14)7-16-12-4-2-1-3-11(12)13(19)18-9-5-6-9/h1-4,8-9,16H,5-7H2,(H,18,19).
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-cyclopropylbenzamide?
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-cyclopropylbenzamide has a molecular weight of 307.81 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-cyclopropylbenzamide is sourced from PubChem (CID 168579845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).