3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine

C9H9ClN4S — CID 63283679

IUPAC3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
SMILESCc1ncsc1CNc1nccnc1Cl
InChIInChI=1S/C9H9ClN4S/c1-6-7(15-5-14-6)4-13-9-8(10)11-2-3-12-9/h2-3,5H,4H2,1H3,(H,12,13)
InChIKeyOCFMLEFHLQUPIC-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.51
Rot. Bonds3

About 3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine

3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine (PubChem CID 63283679) has the molecular formula C9H9ClN4S and a molecular weight of 240.72 g/mol. Its IUPAC name is 3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
PubChem CID63283679
Molecular FormulaC9H9ClN4S
Molecular Weight240.72 g/mol
Exact Mass240.02
IUPAC Name3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
SMILESCc1ncsc1CNc1nccnc1Cl
InChIInChI=1S/C9H9ClN4S/c1-6-7(15-5-14-6)4-13-9-8(10)11-2-3-12-9/h2-3,5H,4H2,1H3,(H,12,13)
InChIKeyOCFMLEFHLQUPIC-UHFFFAOYSA-N
XLogP2.51
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-5-carbaldehyde
CID 66369207
5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 105369409
2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 63280474
6-chloro-2-ethyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 79557730
2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
CID 75356106
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-amine
CID 106572943
3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 62057964
5-bromo-6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 114072292
5-ethyl-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazol-3-amine
CID 71914474
3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazin-2-amine
CID 65245690
2-tert-butyl-6-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80984747
3,5-difluoro-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine
CID 114074457

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine?
The IUPAC name of 3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine (CID 63283679) is 3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine is Cc1ncsc1CNc1nccnc1Cl.
What is the InChIKey of 3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine?
The InChIKey is OCFMLEFHLQUPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4S/c1-6-7(15-5-14-6)4-13-9-8(10)11-2-3-12-9/h2-3,5H,4H2,1H3,(H,12,13).
What are the key properties of 3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine?
3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine has a molecular weight of 240.72 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 63283679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).