N,N,4-trimethyl-2-[[(3S)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide

C20H24N8O2S — CID 95367717

IUPACN,N,4-trimethyl-2-[[(3S)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)[C@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)sc1C(=O)N(C)C
InChIInChI=1S/C20H24N8O2S/c1-13-17(19(30)26(2)3)31-20(24-13)25-18(29)14-6-4-8-27(11-14)15-10-16(22-12-21-15)28-9-5-7-23-28/h5,7,9-10,12,14H,4,6,8,11H2,1-3H3,(H,24,25,29)/t14-/m0/s1
InChIKeyGHHYILXNMNJWMW-AWEZNQCLSA-N
MW440.53 g/mol
LogP1.98
Rot. Bonds5

About N,N,4-trimethyl-2-[[(3S)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-[[(3S)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 95367717) has the molecular formula C20H24N8O2S and a molecular weight of 440.53 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[[(3S)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[[(3S)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID95367717
Molecular FormulaC20H24N8O2S
Molecular Weight440.53 g/mol
Exact Mass440.17
IUPAC NameN,N,4-trimethyl-2-[[(3S)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)[C@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)sc1C(=O)N(C)C
InChIInChI=1S/C20H24N8O2S/c1-13-17(19(30)26(2)3)31-20(24-13)25-18(29)14-6-4-8-27(11-14)15-10-16(22-12-21-15)28-9-5-7-23-28/h5,7,9-10,12,14H,4,6,8,11H2,1-3H3,(H,24,25,29)/t14-/m0/s1
InChIKeyGHHYILXNMNJWMW-AWEZNQCLSA-N
XLogP1.98
TPSA109.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520656
2-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carbonyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 90520886
N-(3,5-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520586
N,N,4-trimethyl-2-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 90520137
1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-4-ylpiperidine-3-carboxamide
CID 90520525
2-[[1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 90514866
(3S)-N-(3-chloro-4-methylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95369280
N-(5-nitro-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520530
N-[2-(4-methoxyphenoxy)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520662
N-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520509
1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 90520568
(3-methylpiperidin-1-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 90520604

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[[(3S)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[[(3S)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide (CID 95367717) is N,N,4-trimethyl-2-[[(3S)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[[(3S)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[[(3S)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)[C@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[[(3S)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is GHHYILXNMNJWMW-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N8O2S/c1-13-17(19(30)26(2)3)31-20(24-13)25-18(29)14-6-4-8-27(11-14)15-10-16(22-12-21-15)28-9-5-7-23-28/h5,7,9-10,12,14H,4,6,8,11H2,1-3H3,(H,24,25,29)/t14-/m0/s1.
What are the key properties of N,N,4-trimethyl-2-[[(3S)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[[(3S)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[[(3S)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 95367717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).