4-chloro-2-(cyclobutylmethylamino)-1,3-thiazole-5-carbonitrile

C9H10ClN3S — CID 106595137

IUPAC4-chloro-2-(cyclobutylmethylamino)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(NCC2CCC2)nc1Cl
InChIInChI=1S/C9H10ClN3S/c10-8-7(4-11)14-9(13-8)12-5-6-2-1-3-6/h6H,1-3,5H2,(H,12,13)
InChIKeyWCQURCWWBHSNHG-UHFFFAOYSA-N
MW227.72 g/mol
LogP2.88
Rot. Bonds3

About 4-chloro-2-(cyclobutylmethylamino)-1,3-thiazole-5-carbonitrile

4-chloro-2-(cyclobutylmethylamino)-1,3-thiazole-5-carbonitrile (PubChem CID 106595137) has the molecular formula C9H10ClN3S and a molecular weight of 227.72 g/mol. Its IUPAC name is 4-chloro-2-(cyclobutylmethylamino)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-(cyclobutylmethylamino)-1,3-thiazole-5-carbonitrile
PubChem CID106595137
Molecular FormulaC9H10ClN3S
Molecular Weight227.72 g/mol
Exact Mass227.03
IUPAC Name4-chloro-2-(cyclobutylmethylamino)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(NCC2CCC2)nc1Cl
InChIInChI=1S/C9H10ClN3S/c10-8-7(4-11)14-9(13-8)12-5-6-2-1-3-6/h6H,1-3,5H2,(H,12,13)
InChIKeyWCQURCWWBHSNHG-UHFFFAOYSA-N
XLogP2.88
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]-1,3-thiazole-5-carbonitrile
CID 106595659
4-chloro-2-(ethylamino)-1,3-thiazole-5-carbonitrile
CID 106595002
4-chloro-2-(cyclopentylamino)-1,3-thiazole-5-carbonitrile
CID 106594988
2-[(2-amino-2-cyclopropylethyl)amino]-4-chloro-1,3-thiazole-5-carbonitrile
CID 106596125
4-chloro-2-(cycloheptylamino)-1,3-thiazole-5-carbonitrile
CID 106595131
4-chloro-2-[(3,3-dimethylpiperidin-2-yl)methylamino]-1,3-thiazole-5-carbonitrile
CID 114083952
4-chloro-2-(2-piperidin-4-yloxyethylamino)-1,3-thiazole-5-carbonitrile
CID 106596018
4-chloro-2-(3-methylbut-2-enylamino)-1,3-thiazole-5-carbonitrile
CID 106191529
4-chloro-2-(thian-4-ylamino)-1,3-thiazole-5-carbonitrile
CID 106595854
2-(benzylamino)-4-chloro-1,3-thiazole-5-carbonitrile
CID 3813841
4-chloro-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-5-carbonitrile
CID 106595689
4-chloro-2-(oxan-3-ylamino)-1,3-thiazole-5-carbonitrile
CID 106595558

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclobutylmethylamino)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-chloro-2-(cyclobutylmethylamino)-1,3-thiazole-5-carbonitrile (CID 106595137) is 4-chloro-2-(cyclobutylmethylamino)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-(cyclobutylmethylamino)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-(cyclobutylmethylamino)-1,3-thiazole-5-carbonitrile is N#Cc1sc(NCC2CCC2)nc1Cl.
What is the InChIKey of 4-chloro-2-(cyclobutylmethylamino)-1,3-thiazole-5-carbonitrile?
The InChIKey is WCQURCWWBHSNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3S/c10-8-7(4-11)14-9(13-8)12-5-6-2-1-3-6/h6H,1-3,5H2,(H,12,13).
What are the key properties of 4-chloro-2-(cyclobutylmethylamino)-1,3-thiazole-5-carbonitrile?
4-chloro-2-(cyclobutylmethylamino)-1,3-thiazole-5-carbonitrile has a molecular weight of 227.72 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclobutylmethylamino)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 106595137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).