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

C14H16ClN3OS — CID 168579862

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NCc1cnc(Cl)s1
InChIInChI=1S/C14H16ClN3OS/c1-2-7-16-13(19)11-5-3-4-6-12(11)17-8-10-9-18-14(15)20-10/h3-6,9,17H,2,7-8H2,1H3,(H,16,19)
InChIKeyFLQPPFOKCPPVPN-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.55
Rot. Bonds6

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

2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propylbenzamide (PubChem CID 168579862) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propylbenzamide
PubChem CID168579862
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NCc1cnc(Cl)s1
InChIInChI=1S/C14H16ClN3OS/c1-2-7-16-13(19)11-5-3-4-6-12(11)17-8-10-9-18-14(15)20-10/h3-6,9,17H,2,7-8H2,1H3,(H,16,19)
InChIKeyFLQPPFOKCPPVPN-UHFFFAOYSA-N
XLogP3.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-cyclopropylbenzamide
CID 168579845
1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-2,2,2-trifluoroethanone
CID 168580944
1-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxyphenyl]ethanone
CID 168580226
3-methylbutyl N-[[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoyl]amino]carbamate
CID 168581999
2-bromo-3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168579944
N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)benzamide
CID 62841224
2-(2-bromoethylamino)-N-propylbenzamide
CID 11066007
N-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide
CID 62178281
methyl 3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-phenylbenzoate
CID 168581543
2-hydrazinyl-N-propylbenzamide
CID 62238054

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propylbenzamide?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propylbenzamide (CID 168579862) is 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propylbenzamide.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propylbenzamide?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NCc1cnc(Cl)s1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propylbenzamide?
The InChIKey is FLQPPFOKCPPVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-2-7-16-13(19)11-5-3-4-6-12(11)17-8-10-9-18-14(15)20-10/h3-6,9,17H,2,7-8H2,1H3,(H,16,19).
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propylbenzamide?
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propylbenzamide has a molecular weight of 309.82 g/mol, XLogP of 3.55, 6 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-propylbenzamide is sourced from PubChem (CID 168579862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).