4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carbonitrile

C8H8ClN3S — CID 106595494

IUPAC4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carbonitrile
SMILESCC1CC1Nc1nc(Cl)c(C#N)s1
InChIInChI=1S/C8H8ClN3S/c1-4-2-5(4)11-8-12-7(9)6(3-10)13-8/h4-5H,2H2,1H3,(H,11,12)
InChIKeyASSLJCLUUKQUGS-UHFFFAOYSA-N
MW213.69 g/mol
LogP2.49
Rot. Bonds2

About 4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carbonitrile

4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carbonitrile (PubChem CID 106595494) has the molecular formula C8H8ClN3S and a molecular weight of 213.69 g/mol. Its IUPAC name is 4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carbonitrile
PubChem CID106595494
Molecular FormulaC8H8ClN3S
Molecular Weight213.69 g/mol
Exact Mass213.01
IUPAC Name4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carbonitrile
SMILESCC1CC1Nc1nc(Cl)c(C#N)s1
InChIInChI=1S/C8H8ClN3S/c1-4-2-5(4)11-8-12-7(9)6(3-10)13-8/h4-5H,2H2,1H3,(H,11,12)
InChIKeyASSLJCLUUKQUGS-UHFFFAOYSA-N
XLogP2.49
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(cyclopentylamino)-1,3-thiazole-5-carbonitrile
CID 106594988
4-chloro-2-(thian-4-ylamino)-1,3-thiazole-5-carbonitrile
CID 106595854
4-chloro-2-(cycloheptylamino)-1,3-thiazole-5-carbonitrile
CID 106595131
4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 130580823
4-chloro-2-(ethylamino)-1,3-thiazole-5-carbonitrile
CID 106595002
4-chloro-2-(oxan-3-ylamino)-1,3-thiazole-5-carbonitrile
CID 106595558
4-chloro-2-(cyclobutylmethylamino)-1,3-thiazole-5-carbonitrile
CID 106595137
2-(butan-2-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile
CID 106594979
4-chloro-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carbonitrile
CID 106595806
4-chloro-2-(2-cyanopropylamino)-1,3-thiazole-5-carbonitrile
CID 130662565
2-[(2-amino-2-cyclopropylethyl)amino]-4-chloro-1,3-thiazole-5-carbonitrile
CID 106596125
4-chloro-2-(3-methylbut-2-enylamino)-1,3-thiazole-5-carbonitrile
CID 106191529

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carbonitrile (CID 106595494) is 4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carbonitrile is CC1CC1Nc1nc(Cl)c(C#N)s1.
What is the InChIKey of 4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carbonitrile?
The InChIKey is ASSLJCLUUKQUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3S/c1-4-2-5(4)11-8-12-7(9)6(3-10)13-8/h4-5H,2H2,1H3,(H,11,12).
What are the key properties of 4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carbonitrile?
4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carbonitrile has a molecular weight of 213.69 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 106595494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).