(4-amino-2-methylpyrimidin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone

C14H18N6OS — CID 138034187

IUPAC(4-amino-2-methylpyrimidin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
SMILESCc1ncc(C(=O)N2CCN(Cc3cscn3)CC2)c(N)n1
InChIInChI=1S/C14H18N6OS/c1-10-16-6-12(13(15)18-10)14(21)20-4-2-19(3-5-20)7-11-8-22-9-17-11/h6,8-9H,2-5,7H2,1H3,(H2,15,16,18)
InChIKeyTZMXRNDBXFLKAH-UHFFFAOYSA-N
MW318.41 g/mol
LogP0.78
Rot. Bonds3

About (4-amino-2-methylpyrimidin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone

(4-amino-2-methylpyrimidin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 138034187) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is (4-amino-2-methylpyrimidin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-2-methylpyrimidin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID138034187
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC Name(4-amino-2-methylpyrimidin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
SMILESCc1ncc(C(=O)N2CCN(Cc3cscn3)CC2)c(N)n1
InChIInChI=1S/C14H18N6OS/c1-10-16-6-12(13(15)18-10)14(21)20-4-2-19(3-5-20)7-11-8-22-9-17-11/h6,8-9H,2-5,7H2,1H3,(H2,15,16,18)
InChIKeyTZMXRNDBXFLKAH-UHFFFAOYSA-N
XLogP0.78
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-4-[4-(1,3-thiazol-4-ylmethyl)piperazine-1-carbonyl]benzoic acid
CID 146143211
(4-ethylphenyl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 47025132
methyl 3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanoate
CID 78982405
(6-methoxy-3-pyridinyl)-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 56824064
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 24517179
(4-amino-2-methylpyrimidin-5-yl)-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]methanone
CID 166280098
1-[(6R)-6-hydroxy-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 97121644
(4-amino-2-methylpyrimidin-5-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 146090926
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 56819262
1-[4-(1,3-thiazol-4-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
CID 56819264
[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone
CID 30767973
3,5-dimethyl-6-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepane-1-carbonyl]thieno[2,3-d]pyrimidin-4-one
CID 86884033

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylpyrimidin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-amino-2-methylpyrimidin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone (CID 138034187) is (4-amino-2-methylpyrimidin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-amino-2-methylpyrimidin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-amino-2-methylpyrimidin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone is Cc1ncc(C(=O)N2CCN(Cc3cscn3)CC2)c(N)n1.
What is the InChIKey of (4-amino-2-methylpyrimidin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is TZMXRNDBXFLKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6OS/c1-10-16-6-12(13(15)18-10)14(21)20-4-2-19(3-5-20)7-11-8-22-9-17-11/h6,8-9H,2-5,7H2,1H3,(H2,15,16,18).
What are the key properties of (4-amino-2-methylpyrimidin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
(4-amino-2-methylpyrimidin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 318.41 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylpyrimidin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 138034187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).