2-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

C13H16N6O2S — CID 153405898

IUPAC2-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ncc(C(N)=O)s2)cc(N2CC[C@H](O)C2)n1
InChIInChI=1S/C13H16N6O2S/c1-7-16-10(18-13-15-5-9(22-13)12(14)21)4-11(17-7)19-3-2-8(20)6-19/h4-5,8,20H,2-3,6H2,1H3,(H2,14,21)(H,15,16,17,18)/t8-/m0/s1
InChIKeyVQZKQLYTQVILDF-QMMMGPOBSA-N
MW320.38 g/mol
LogP0.66
Rot. Bonds4

About 2-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

2-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 153405898) has the molecular formula C13H16N6O2S and a molecular weight of 320.38 g/mol. Its IUPAC name is 2-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
PubChem CID153405898
Molecular FormulaC13H16N6O2S
Molecular Weight320.38 g/mol
Exact Mass320.11
IUPAC Name2-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ncc(C(N)=O)s2)cc(N2CC[C@H](O)C2)n1
InChIInChI=1S/C13H16N6O2S/c1-7-16-10(18-13-15-5-9(22-13)12(14)21)4-11(17-7)19-3-2-8(20)6-19/h4-5,8,20H,2-3,6H2,1H3,(H2,14,21)(H,15,16,17,18)/t8-/m0/s1
InChIKeyVQZKQLYTQVILDF-QMMMGPOBSA-N
XLogP0.66
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-chloro-4-hydroxy-6-methylphenyl)-2-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 163651063
2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone
CID 152862029
1-(6-hydrazinyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80919413
[4-[6-[(5-carboxy-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropyl-ethylideneazanium
CID 131986491
2-[[6-(3-aminopyrrolidin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-4-iodo-6-methylphenyl)-1,3-thiazole-5-carboxamide
CID 134410527
N-(4-amino-2-chloro-6-methylphenyl)-2-[[6-(3-aminopyrrolidin-1-yl)-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 142378758
2-[[6-(3-aminopyrrolidin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-4-hydroxy-6-methylphenyl)-1,3-thiazole-5-carboxamide
CID 135142688
(3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol
CID 167833801
ethyl 2-[[6-[4-(2-acetyloxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylate
CID 89258500
2-[[2-methyl-6-[4-[(3-oxocyclopenten-1-yl)amino]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
CID 131986506
(2S)-2-(methylamino)-N-[(3S)-1-[2-methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-3-yl]propanamide
CID 155589648
2-(methylamino)-N-[(3S)-1-[2-methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-3-yl]propanamide
CID 175353941

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (CID 153405898) is 2-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ncc(C(N)=O)s2)cc(N2CC[C@H](O)C2)n1.
What is the InChIKey of 2-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is VQZKQLYTQVILDF-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H16N6O2S/c1-7-16-10(18-13-15-5-9(22-13)12(14)21)4-11(17-7)19-3-2-8(20)6-19/h4-5,8,20H,2-3,6H2,1H3,(H2,14,21)(H,15,16,17,18)/t8-/m0/s1.
What are the key properties of 2-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?
2-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 320.38 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 153405898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).