4-chloro-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1,3-thiazole-5-carbonitrile

C10H9ClN4OS — CID 106373504

IUPAC4-chloro-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1,3-thiazole-5-carbonitrile
SMILESCCc1cnc(CNc2nc(Cl)c(C#N)s2)o1
InChIInChI=1S/C10H9ClN4OS/c1-2-6-4-13-8(16-6)5-14-10-15-9(11)7(3-12)17-10/h4H,2,5H2,1H3,(H,14,15)
InChIKeyHKQBBMSFBPSBGC-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.83
Rot. Bonds4

About 4-chloro-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1,3-thiazole-5-carbonitrile

4-chloro-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1,3-thiazole-5-carbonitrile (PubChem CID 106373504) has the molecular formula C10H9ClN4OS and a molecular weight of 268.73 g/mol. Its IUPAC name is 4-chloro-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1,3-thiazole-5-carbonitrile
PubChem CID106373504
Molecular FormulaC10H9ClN4OS
Molecular Weight268.73 g/mol
Exact Mass268.02
IUPAC Name4-chloro-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1,3-thiazole-5-carbonitrile
SMILESCCc1cnc(CNc2nc(Cl)c(C#N)s2)o1
InChIInChI=1S/C10H9ClN4OS/c1-2-6-4-13-8(16-6)5-14-10-15-9(11)7(3-12)17-10/h4H,2,5H2,1H3,(H,14,15)
InChIKeyHKQBBMSFBPSBGC-UHFFFAOYSA-N
XLogP2.83
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1,3-thiazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 106375161
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-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 106378320
2-chloro-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzonitrile
CID 103764561
2-(benzylamino)-4-chloro-1,3-thiazole-5-carbonitrile
CID 3813841
4-chloro-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-thiazole-5-carbonitrile
CID 106595281
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzonitrile
CID 106371995
5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile
CID 114180969
6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114181096
6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethylpyridazin-3-amine
CID 114180765
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106898455

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-chloro-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1,3-thiazole-5-carbonitrile (CID 106373504) is 4-chloro-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1,3-thiazole-5-carbonitrile is CCc1cnc(CNc2nc(Cl)c(C#N)s2)o1.
What is the InChIKey of 4-chloro-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1,3-thiazole-5-carbonitrile?
The InChIKey is HKQBBMSFBPSBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4OS/c1-2-6-4-13-8(16-6)5-14-10-15-9(11)7(3-12)17-10/h4H,2,5H2,1H3,(H,14,15).
What are the key properties of 4-chloro-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1,3-thiazole-5-carbonitrile?
4-chloro-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1,3-thiazole-5-carbonitrile has a molecular weight of 268.73 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 106373504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).