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

C9H11ClN4S — CID 106596125

IUPAC2-[(2-amino-2-cyclopropylethyl)amino]-4-chloro-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(NCC(N)C2CC2)nc1Cl
InChIInChI=1S/C9H11ClN4S/c10-8-7(3-11)15-9(14-8)13-4-6(12)5-1-2-5/h5-6H,1-2,4,12H2,(H,13,14)
InChIKeyGRNMOXMOCNOSKJ-UHFFFAOYSA-N
MW242.73 g/mol
LogP1.82
Rot. Bonds4

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

2-[(2-amino-2-cyclopropylethyl)amino]-4-chloro-1,3-thiazole-5-carbonitrile (PubChem CID 106596125) has the molecular formula C9H11ClN4S and a molecular weight of 242.73 g/mol. Its IUPAC name is 2-[(2-amino-2-cyclopropylethyl)amino]-4-chloro-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[(2-amino-2-cyclopropylethyl)amino]-4-chloro-1,3-thiazole-5-carbonitrile
PubChem CID106596125
Molecular FormulaC9H11ClN4S
Molecular Weight242.73 g/mol
Exact Mass242.04
IUPAC Name2-[(2-amino-2-cyclopropylethyl)amino]-4-chloro-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(NCC(N)C2CC2)nc1Cl
InChIInChI=1S/C9H11ClN4S/c10-8-7(3-11)15-9(14-8)13-4-6(12)5-1-2-5/h5-6H,1-2,4,12H2,(H,13,14)
InChIKeyGRNMOXMOCNOSKJ-UHFFFAOYSA-N
XLogP1.82
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(ethylamino)-1,3-thiazole-5-carbonitrile
CID 106595002
4-chloro-2-(2-cyanopropylamino)-1,3-thiazole-5-carbonitrile
CID 130662565
4-chloro-2-[[2-methyl-3-(methylamino)propyl]amino]-1,3-thiazole-5-carbonitrile
CID 106596127
4-chloro-2-(thian-4-ylamino)-1,3-thiazole-5-carbonitrile
CID 106595854
4-chloro-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]-1,3-thiazole-5-carbonitrile
CID 106595659
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-(2-piperidin-4-yloxyethylamino)-1,3-thiazole-5-carbonitrile
CID 106596018
2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 106595759
2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-1,3-thiazole-5-carbonitrile
CID 106596139
4-chloro-2-(3-methylbut-2-enylamino)-1,3-thiazole-5-carbonitrile
CID 106191529
2-(benzylamino)-4-chloro-1,3-thiazole-5-carbonitrile
CID 3813841

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-cyclopropylethyl)amino]-4-chloro-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[(2-amino-2-cyclopropylethyl)amino]-4-chloro-1,3-thiazole-5-carbonitrile (CID 106596125) is 2-[(2-amino-2-cyclopropylethyl)amino]-4-chloro-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[(2-amino-2-cyclopropylethyl)amino]-4-chloro-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[(2-amino-2-cyclopropylethyl)amino]-4-chloro-1,3-thiazole-5-carbonitrile is N#Cc1sc(NCC(N)C2CC2)nc1Cl.
What is the InChIKey of 2-[(2-amino-2-cyclopropylethyl)amino]-4-chloro-1,3-thiazole-5-carbonitrile?
The InChIKey is GRNMOXMOCNOSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4S/c10-8-7(3-11)15-9(14-8)13-4-6(12)5-1-2-5/h5-6H,1-2,4,12H2,(H,13,14).
What are the key properties of 2-[(2-amino-2-cyclopropylethyl)amino]-4-chloro-1,3-thiazole-5-carbonitrile?
2-[(2-amino-2-cyclopropylethyl)amino]-4-chloro-1,3-thiazole-5-carbonitrile has a molecular weight of 242.73 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-cyclopropylethyl)amino]-4-chloro-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 106596125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).