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

C8H7ClN4S — CID 130736430

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
SMILESClc1cnc(CNc2ncccn2)s1
InChIInChI=1S/C8H7ClN4S/c9-6-4-12-7(14-6)5-13-8-10-2-1-3-11-8/h1-4H,5H2,(H,10,11,13)
InChIKeyVWTSJIPJKZXYGZ-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.20
Rot. Bonds3

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

N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine (PubChem CID 130736430) has the molecular formula C8H7ClN4S and a molecular weight of 226.69 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
PubChem CID130736430
Molecular FormulaC8H7ClN4S
Molecular Weight226.69 g/mol
Exact Mass226.01
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
SMILESClc1cnc(CNc2ncccn2)s1
InChIInChI=1S/C8H7ClN4S/c9-6-4-12-7(14-6)5-13-8-10-2-1-3-11-8/h1-4H,5H2,(H,10,11,13)
InChIKeyVWTSJIPJKZXYGZ-UHFFFAOYSA-N
XLogP2.20
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-8-amine
CID 104878700
6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine
CID 104877929
2-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol
CID 104954546
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-phenylaniline
CID 104921590
N-[(5-chloro-1,3-thiazol-2-yl)methyl]prop-2-yn-1-amine
CID 104878439
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]benzonitrile
CID 107123890
N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66223891
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2-methylpropane-1,2-diol
CID 107124089
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)methanamine
CID 104879256
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylbutan-2-amine
CID 104878932
N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-3-amine
CID 104877930
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline
CID 104878720

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine (CID 130736430) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine is Clc1cnc(CNc2ncccn2)s1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is VWTSJIPJKZXYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4S/c9-6-4-12-7(14-6)5-13-8-10-2-1-3-11-8/h1-4H,5H2,(H,10,11,13).
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine has a molecular weight of 226.69 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 130736430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).