4-chloro-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-thiazole-5-carbonitrile

C9H8ClN5S — CID 106595281

IUPAC4-chloro-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-thiazole-5-carbonitrile
SMILESCc1[nH]ncc1CNc1nc(Cl)c(C#N)s1
InChIInChI=1S/C9H8ClN5S/c1-5-6(4-13-15-5)3-12-9-14-8(10)7(2-11)16-9/h4H,3H2,1H3,(H,12,14)(H,13,15)
InChIKeySFVZLRRIIMZZKD-UHFFFAOYSA-N
MW253.72 g/mol
LogP2.31
Rot. Bonds3

About 4-chloro-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-thiazole-5-carbonitrile

4-chloro-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-thiazole-5-carbonitrile (PubChem CID 106595281) has the molecular formula C9H8ClN5S and a molecular weight of 253.72 g/mol. Its IUPAC name is 4-chloro-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-thiazole-5-carbonitrile
PubChem CID106595281
Molecular FormulaC9H8ClN5S
Molecular Weight253.72 g/mol
Exact Mass253.02
IUPAC Name4-chloro-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-thiazole-5-carbonitrile
SMILESCc1[nH]ncc1CNc1nc(Cl)c(C#N)s1
InChIInChI=1S/C9H8ClN5S/c1-5-6(4-13-15-5)3-12-9-14-8(10)7(2-11)16-9/h4H,3H2,1H3,(H,12,14)(H,13,15)
InChIKeySFVZLRRIIMZZKD-UHFFFAOYSA-N
XLogP2.31
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.72
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 130747546
4-chloro-2-(ethylamino)-1,3-thiazole-5-carbonitrile
CID 106595002
4-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,3-thiazole-5-carbonitrile
CID 106595442
2-(benzylamino)-4-chloro-1,3-thiazole-5-carbonitrile
CID 3813841
4-chloro-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1,3-thiazole-5-carbonitrile
CID 106373504
2-chloro-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzonitrile
CID 43686981
4-chloro-2-[2-(3-methylphenyl)ethylamino]-1,3-thiazole-5-carbonitrile
CID 106595486
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzene-1,2-dicarbonitrile
CID 107788411
4-chloro-2-(3-methylbut-2-enylamino)-1,3-thiazole-5-carbonitrile
CID 106191529
4-chloro-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carbonitrile
CID 106595806
2-chloro-6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 114156486
4-chloro-2-[[2-methyl-3-(methylamino)propyl]amino]-1,3-thiazole-5-carbonitrile
CID 106596127

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-chloro-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-thiazole-5-carbonitrile (CID 106595281) is 4-chloro-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-thiazole-5-carbonitrile is Cc1[nH]ncc1CNc1nc(Cl)c(C#N)s1.
What is the InChIKey of 4-chloro-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-thiazole-5-carbonitrile?
The InChIKey is SFVZLRRIIMZZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5S/c1-5-6(4-13-15-5)3-12-9-14-8(10)7(2-11)16-9/h4H,3H2,1H3,(H,12,14)(H,13,15).
What are the key properties of 4-chloro-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-thiazole-5-carbonitrile?
4-chloro-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-thiazole-5-carbonitrile has a molecular weight of 253.72 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 106595281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).