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

C11H14ClN3S — CID 106595131

IUPAC4-chloro-2-(cycloheptylamino)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(NC2CCCCCC2)nc1Cl
InChIInChI=1S/C11H14ClN3S/c12-10-9(7-13)16-11(15-10)14-8-5-3-1-2-4-6-8/h8H,1-6H2,(H,14,15)
InChIKeyDHEPDENIHMBENN-UHFFFAOYSA-N
MW255.77 g/mol
LogP3.80
Rot. Bonds2

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

4-chloro-2-(cycloheptylamino)-1,3-thiazole-5-carbonitrile (PubChem CID 106595131) has the molecular formula C11H14ClN3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 4-chloro-2-(cycloheptylamino)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-(cycloheptylamino)-1,3-thiazole-5-carbonitrile
PubChem CID106595131
Molecular FormulaC11H14ClN3S
Molecular Weight255.77 g/mol
Exact Mass255.06
IUPAC Name4-chloro-2-(cycloheptylamino)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(NC2CCCCCC2)nc1Cl
InChIInChI=1S/C11H14ClN3S/c12-10-9(7-13)16-11(15-10)14-8-5-3-1-2-4-6-8/h8H,1-6H2,(H,14,15)
InChIKeyDHEPDENIHMBENN-UHFFFAOYSA-N
XLogP3.80
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 53.80
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-(oxan-3-ylamino)-1,3-thiazole-5-carbonitrile
CID 106595558
4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carbonitrile
CID 106595494
4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carbaldehyde
CID 53273626
4-chloro-2-(cyclobutylmethylamino)-1,3-thiazole-5-carbonitrile
CID 106595137
methyl 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carboxylate
CID 47257578
2-[(2-amino-2-cyclopropylethyl)amino]-4-chloro-1,3-thiazole-5-carbonitrile
CID 106596125
4-chloro-2-(2-piperidin-4-yloxyethylamino)-1,3-thiazole-5-carbonitrile
CID 106596018
4-chloro-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-carbonitrile
CID 106595966
4-chloro-2-(cyclobutylamino)-1,3-thiazole-5-carboxylic acid
CID 117258671
3-chloro-N-cyclohexyl-[1,3]thiazolo[4,5-c]pyridazin-6-amine
CID 71561272

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cycloheptylamino)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-chloro-2-(cycloheptylamino)-1,3-thiazole-5-carbonitrile (CID 106595131) is 4-chloro-2-(cycloheptylamino)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-(cycloheptylamino)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-(cycloheptylamino)-1,3-thiazole-5-carbonitrile is N#Cc1sc(NC2CCCCCC2)nc1Cl.
What is the InChIKey of 4-chloro-2-(cycloheptylamino)-1,3-thiazole-5-carbonitrile?
The InChIKey is DHEPDENIHMBENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3S/c12-10-9(7-13)16-11(15-10)14-8-5-3-1-2-4-6-8/h8H,1-6H2,(H,14,15).
What are the key properties of 4-chloro-2-(cycloheptylamino)-1,3-thiazole-5-carbonitrile?
4-chloro-2-(cycloheptylamino)-1,3-thiazole-5-carbonitrile has a molecular weight of 255.77 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cycloheptylamino)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 106595131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).