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

C15H13ClN4S — CID 118733449

IUPAC2-chloro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(-c2ccccc2)sc1CNc1ccnc(Cl)n1
InChIInChI=1S/C15H13ClN4S/c1-10-12(9-18-13-7-8-17-15(16)20-13)21-14(19-10)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,17,18,20)
InChIKeyZSFSQVLJISYFNJ-UHFFFAOYSA-N
MW316.82 g/mol
LogP4.17
Rot. Bonds4

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

2-chloro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine (PubChem CID 118733449) has the molecular formula C15H13ClN4S and a molecular weight of 316.82 g/mol. Its IUPAC name is 2-chloro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
PubChem CID118733449
Molecular FormulaC15H13ClN4S
Molecular Weight316.82 g/mol
Exact Mass316.05
IUPAC Name2-chloro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(-c2ccccc2)sc1CNc1ccnc(Cl)n1
InChIInChI=1S/C15H13ClN4S/c1-10-12(9-18-13-7-8-17-15(16)20-13)21-14(19-10)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,17,18,20)
InChIKeyZSFSQVLJISYFNJ-UHFFFAOYSA-N
XLogP4.17
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.82
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133287002
4-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-5-nitropyridin-2-amine
CID 133329195
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
5-[(dimethylsulfamoylamino)methyl]-4-methyl-2-phenyl-1,3-thiazole
CID 121121685
2-tert-butyl-6-(methoxymethyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 133401193
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide
CID 121121722
2-(4-chlorophenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546287
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 67080034
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 115692578
2-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine
CID 62342670
2-methyl-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125158
1-tert-butyl-2-methyl-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 110966691

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine (CID 118733449) is 2-chloro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine is Cc1nc(-c2ccccc2)sc1CNc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is ZSFSQVLJISYFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4S/c1-10-12(9-18-13-7-8-17-15(16)20-13)21-14(19-10)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,17,18,20).
What are the key properties of 2-chloro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
2-chloro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 316.82 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 118733449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).