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

C14H18ClN5S — CID 176963716

IUPAC4-(4-chloro-2-methyl-1,3-thiazol-5-yl)-N-(1-methylpiperidin-3-yl)pyrimidin-2-amine
SMILESCc1nc(Cl)c(-c2ccnc(NC3CCCN(C)C3)n2)s1
InChIInChI=1S/C14H18ClN5S/c1-9-17-13(15)12(21-9)11-5-6-16-14(19-11)18-10-4-3-7-20(2)8-10/h5-6,10H,3-4,7-8H2,1-2H3,(H,16,18,19)
InChIKeySGBFEAHQTKBXOD-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.07
Rot. Bonds3

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

4-(4-chloro-2-methyl-1,3-thiazol-5-yl)-N-(1-methylpiperidin-3-yl)pyrimidin-2-amine (PubChem CID 176963716) has the molecular formula C14H18ClN5S and a molecular weight of 323.85 g/mol. Its IUPAC name is 4-(4-chloro-2-methyl-1,3-thiazol-5-yl)-N-(1-methylpiperidin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chloro-2-methyl-1,3-thiazol-5-yl)-N-(1-methylpiperidin-3-yl)pyrimidin-2-amine
PubChem CID176963716
Molecular FormulaC14H18ClN5S
Molecular Weight323.85 g/mol
Exact Mass323.10
IUPAC Name4-(4-chloro-2-methyl-1,3-thiazol-5-yl)-N-(1-methylpiperidin-3-yl)pyrimidin-2-amine
SMILESCc1nc(Cl)c(-c2ccnc(NC3CCCN(C)C3)n2)s1
InChIInChI=1S/C14H18ClN5S/c1-9-17-13(15)12(21-9)11-5-6-16-14(19-11)18-10-4-3-7-20(2)8-10/h5-6,10H,3-4,7-8H2,1-2H3,(H,16,18,19)
InChIKeySGBFEAHQTKBXOD-UHFFFAOYSA-N
XLogP3.07
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopropyl-N-[4-[[2-methyl-5-[2-[(1-methylpiperidin-3-yl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]oxy]naphthalen-1-yl]methanesulfinamide
CID 176963665
3,6-dichloro-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine
CID 81035335
4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(3R)-1-methylpiperidin-3-yl]pyrimidin-2-amine
CID 143567388
N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 61464985
N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 172881651
3-[5-[2-[[(3R)-1-methylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 71159632
3-[[4-(3-chloropyridazin-4-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
CID 175135859
N-cyclopropyl-4-[4-(2,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 142732900
4-[4-(4-chloro-2-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-cyclopropylpyrimidin-2-amine
CID 142732897
2-N,6-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80797834
N-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine
CID 112637135
4-[5-(1-methylpiperidin-4-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 141103158

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methyl-1,3-thiazol-5-yl)-N-(1-methylpiperidin-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-chloro-2-methyl-1,3-thiazol-5-yl)-N-(1-methylpiperidin-3-yl)pyrimidin-2-amine (CID 176963716) is 4-(4-chloro-2-methyl-1,3-thiazol-5-yl)-N-(1-methylpiperidin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-chloro-2-methyl-1,3-thiazol-5-yl)-N-(1-methylpiperidin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-chloro-2-methyl-1,3-thiazol-5-yl)-N-(1-methylpiperidin-3-yl)pyrimidin-2-amine is Cc1nc(Cl)c(-c2ccnc(NC3CCCN(C)C3)n2)s1.
What is the InChIKey of 4-(4-chloro-2-methyl-1,3-thiazol-5-yl)-N-(1-methylpiperidin-3-yl)pyrimidin-2-amine?
The InChIKey is SGBFEAHQTKBXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5S/c1-9-17-13(15)12(21-9)11-5-6-16-14(19-11)18-10-4-3-7-20(2)8-10/h5-6,10H,3-4,7-8H2,1-2H3,(H,16,18,19).
What are the key properties of 4-(4-chloro-2-methyl-1,3-thiazol-5-yl)-N-(1-methylpiperidin-3-yl)pyrimidin-2-amine?
4-(4-chloro-2-methyl-1,3-thiazol-5-yl)-N-(1-methylpiperidin-3-yl)pyrimidin-2-amine has a molecular weight of 323.85 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methyl-1,3-thiazol-5-yl)-N-(1-methylpiperidin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 176963716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).