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

C9H10ClN3OS — CID 106595558

IUPAC4-chloro-2-(oxan-3-ylamino)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(NC2CCCOC2)nc1Cl
InChIInChI=1S/C9H10ClN3OS/c10-8-7(4-11)15-9(13-8)12-6-2-1-3-14-5-6/h6H,1-3,5H2,(H,12,13)
InChIKeyGDULIURXOMGRDS-UHFFFAOYSA-N
MW243.72 g/mol
LogP2.26
Rot. Bonds2

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

4-chloro-2-(oxan-3-ylamino)-1,3-thiazole-5-carbonitrile (PubChem CID 106595558) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is 4-chloro-2-(oxan-3-ylamino)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-(oxan-3-ylamino)-1,3-thiazole-5-carbonitrile
PubChem CID106595558
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name4-chloro-2-(oxan-3-ylamino)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(NC2CCCOC2)nc1Cl
InChIInChI=1S/C9H10ClN3OS/c10-8-7(4-11)15-9(13-8)12-6-2-1-3-14-5-6/h6H,1-3,5H2,(H,12,13)
InChIKeyGDULIURXOMGRDS-UHFFFAOYSA-N
XLogP2.26
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 52.26
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-(thian-4-ylamino)-1,3-thiazole-5-carbonitrile
CID 106595854
4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carbonitrile
CID 106595494
[4-chloro-2-(oxolan-3-ylamino)-1,3-thiazol-5-yl]methanol
CID 130735722
2-(oxan-3-ylamino)pyrimidine-4-carbonitrile
CID 107544503
2-[(2-amino-2-cyclopropylethyl)amino]-4-chloro-1,3-thiazole-5-carbonitrile
CID 106596125
2,5-dichloro-N-(oxan-3-yl)pyrimidin-4-amine
CID 79633134
4-chloro-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-carbonitrile
CID 106595966
4-chloro-2-(2-piperidin-4-yloxyethylamino)-1,3-thiazole-5-carbonitrile
CID 106596018
2-fluoro-6-(oxan-3-ylamino)benzonitrile
CID 63611402
6-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine
CID 80713313

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(oxan-3-ylamino)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-chloro-2-(oxan-3-ylamino)-1,3-thiazole-5-carbonitrile (CID 106595558) is 4-chloro-2-(oxan-3-ylamino)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-(oxan-3-ylamino)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-(oxan-3-ylamino)-1,3-thiazole-5-carbonitrile is N#Cc1sc(NC2CCCOC2)nc1Cl.
What is the InChIKey of 4-chloro-2-(oxan-3-ylamino)-1,3-thiazole-5-carbonitrile?
The InChIKey is GDULIURXOMGRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c10-8-7(4-11)15-9(13-8)12-6-2-1-3-14-5-6/h6H,1-3,5H2,(H,12,13).
What are the key properties of 4-chloro-2-(oxan-3-ylamino)-1,3-thiazole-5-carbonitrile?
4-chloro-2-(oxan-3-ylamino)-1,3-thiazole-5-carbonitrile has a molecular weight of 243.72 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(oxan-3-ylamino)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 106595558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).