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

C9H10ClN3S2 — CID 106595854

IUPAC4-chloro-2-(thian-4-ylamino)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(NC2CCSCC2)nc1Cl
InChIInChI=1S/C9H10ClN3S2/c10-8-7(5-11)15-9(13-8)12-6-1-3-14-4-2-6/h6H,1-4H2,(H,12,13)
InChIKeyZFDRQIZCYUGZIR-UHFFFAOYSA-N
MW259.79 g/mol
LogP2.98
Rot. Bonds2

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

4-chloro-2-(thian-4-ylamino)-1,3-thiazole-5-carbonitrile (PubChem CID 106595854) has the molecular formula C9H10ClN3S2 and a molecular weight of 259.79 g/mol. Its IUPAC name is 4-chloro-2-(thian-4-ylamino)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-(thian-4-ylamino)-1,3-thiazole-5-carbonitrile
PubChem CID106595854
Molecular FormulaC9H10ClN3S2
Molecular Weight259.79 g/mol
Exact Mass259.00
IUPAC Name4-chloro-2-(thian-4-ylamino)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(NC2CCSCC2)nc1Cl
InChIInChI=1S/C9H10ClN3S2/c10-8-7(5-11)15-9(13-8)12-6-1-3-14-4-2-6/h6H,1-4H2,(H,12,13)
InChIKeyZFDRQIZCYUGZIR-UHFFFAOYSA-N
XLogP2.98
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.79
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(cyclopentylamino)-1,3-thiazole-5-carbonitrile
CID 106594988
4-chloro-2-(cycloheptylamino)-1,3-thiazole-5-carbonitrile
CID 106595131
4-chloro-2-(oxan-3-ylamino)-1,3-thiazole-5-carbonitrile
CID 106595558
4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carbonitrile
CID 106595494
2-[(2-amino-2-cyclopropylethyl)amino]-4-chloro-1,3-thiazole-5-carbonitrile
CID 106596125
4-chloro-2-(cyclobutylmethylamino)-1,3-thiazole-5-carbonitrile
CID 106595137
4-chloro-2-(2-piperidin-4-yloxyethylamino)-1,3-thiazole-5-carbonitrile
CID 106596018
4-chloro-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]-1,3-thiazole-5-carbonitrile
CID 106595659
4-chloro-2-(3-methylbut-2-enylamino)-1,3-thiazole-5-carbonitrile
CID 106191529
4-chloro-2-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-carbonitrile
CID 100711420
4-chloro-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carbonitrile
CID 106595806
4-chloro-2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid
CID 117258667

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(thian-4-ylamino)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-chloro-2-(thian-4-ylamino)-1,3-thiazole-5-carbonitrile (CID 106595854) is 4-chloro-2-(thian-4-ylamino)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-(thian-4-ylamino)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-(thian-4-ylamino)-1,3-thiazole-5-carbonitrile is N#Cc1sc(NC2CCSCC2)nc1Cl.
What is the InChIKey of 4-chloro-2-(thian-4-ylamino)-1,3-thiazole-5-carbonitrile?
The InChIKey is ZFDRQIZCYUGZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3S2/c10-8-7(5-11)15-9(13-8)12-6-1-3-14-4-2-6/h6H,1-4H2,(H,12,13).
What are the key properties of 4-chloro-2-(thian-4-ylamino)-1,3-thiazole-5-carbonitrile?
4-chloro-2-(thian-4-ylamino)-1,3-thiazole-5-carbonitrile has a molecular weight of 259.79 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(thian-4-ylamino)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 106595854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).