N-[(4-chlorothiophen-2-yl)methyl]-1,3-thiazol-2-amine

C8H7ClN2S2 — CID 79427709

IUPACN-[(4-chlorothiophen-2-yl)methyl]-1,3-thiazol-2-amine
SMILESClc1csc(CNc2nccs2)c1
InChIInChI=1S/C8H7ClN2S2/c9-6-3-7(13-5-6)4-11-8-10-1-2-12-8/h1-3,5H,4H2,(H,10,11)
InChIKeyFDHBPCGCUWGNDB-UHFFFAOYSA-N
MW230.75 g/mol
LogP3.47
Rot. Bonds3

About N-[(4-chlorothiophen-2-yl)methyl]-1,3-thiazol-2-amine

N-[(4-chlorothiophen-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 79427709) has the molecular formula C8H7ClN2S2 and a molecular weight of 230.75 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID79427709
Molecular FormulaC8H7ClN2S2
Molecular Weight230.75 g/mol
Exact Mass229.97
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-1,3-thiazol-2-amine
SMILESClc1csc(CNc2nccs2)c1
InChIInChI=1S/C8H7ClN2S2/c9-6-3-7(13-5-6)4-11-8-10-1-2-12-8/h1-3,5H,4H2,(H,10,11)
InChIKeyFDHBPCGCUWGNDB-UHFFFAOYSA-N
XLogP3.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.75
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trichloro-N-[(4-chlorothiophen-2-yl)methyl]aniline
CID 79420568
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine
CID 4227429
N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazol-2-amine
CID 106403375
N-[(4-chlorothiophen-2-yl)methyl]-4-fluoroaniline
CID 79420119
4-N-[(4-chlorothiophen-2-yl)methyl]benzene-1,4-diamine
CID 22486438
N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 4711878
N-[2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-amine
CID 60658715
N-[(4-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline
CID 79420302
(1S)-N-[(4-chlorothiophen-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401866
N-[(3-bromo-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 78982895
N-[(4-chlorothiophen-2-yl)methyl]-4-(trifluoromethoxy)aniline
CID 79419517
N-[(4-chlorothiophen-2-yl)methyl]-2-methylaniline
CID 79420207

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1,3-thiazol-2-amine (CID 79427709) is N-[(4-chlorothiophen-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-1,3-thiazol-2-amine is Clc1csc(CNc2nccs2)c1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is FDHBPCGCUWGNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S2/c9-6-3-7(13-5-6)4-11-8-10-1-2-12-8/h1-3,5H,4H2,(H,10,11).
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-1,3-thiazol-2-amine?
N-[(4-chlorothiophen-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 230.75 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79427709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).