N-[5-[(2S,5R)-5-aminooxepan-2-yl]-1H-pyrazol-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide

C19H22N6O2S — CID 146243154

IUPACN-[5-[(2S,5R)-5-aminooxepan-2-yl]-1H-pyrazol-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCc1cccnc1-c1nc(C(=O)Nc2cn[nH]c2[C@@H]2CC[C@@H](N)CCO2)cs1
InChIInChI=1S/C19H22N6O2S/c1-11-3-2-7-21-16(11)19-24-14(10-28-19)18(26)23-13-9-22-25-17(13)15-5-4-12(20)6-8-27-15/h2-3,7,9-10,12,15H,4-6,8,20H2,1H3,(H,22,25)(H,23,26)/t12-,15+/m1/s1
InChIKeyVTPKQYFGHGFNRI-DOMZBBRYSA-N
MW398.49 g/mol
LogP3.06
Rot. Bonds4

About N-[5-[(2S,5R)-5-aminooxepan-2-yl]-1H-pyrazol-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide

N-[5-[(2S,5R)-5-aminooxepan-2-yl]-1H-pyrazol-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 146243154) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[5-[(2S,5R)-5-aminooxepan-2-yl]-1H-pyrazol-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(2S,5R)-5-aminooxepan-2-yl]-1H-pyrazol-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID146243154
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC NameN-[5-[(2S,5R)-5-aminooxepan-2-yl]-1H-pyrazol-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCc1cccnc1-c1nc(C(=O)Nc2cn[nH]c2[C@@H]2CC[C@@H](N)CCO2)cs1
InChIInChI=1S/C19H22N6O2S/c1-11-3-2-7-21-16(11)19-24-14(10-28-19)18(26)23-13-9-22-25-17(13)15-5-4-12(20)6-8-27-15/h2-3,7,9-10,12,15H,4-6,8,20H2,1H3,(H,22,25)(H,23,26)/t12-,15+/m1/s1
InChIKeyVTPKQYFGHGFNRI-DOMZBBRYSA-N
XLogP3.06
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(5R)-5-aminooxepan-2-yl]-1-methylpyrazol-4-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 146243195
N-[6-(5-amino-6-fluorooxepan-2-yl)-4,5-dihydropyridazin-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 123917140
N-[5-[[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]methyl]-1H-pyrazol-4-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 118270666
N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 90072520
fluoromethane;N-(1-methylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;(4R)-oxepan-4-amine
CID 144595370
N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 118385175
N-[5-[[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]methyl]-1H-pyrazol-4-yl]-2-(3-fluoro-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 118269893
N-(8-methylquinolin-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 51085163
N-[3-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-5-methyl-1H-pyrazol-4-yl]-2-(5-methoxy-3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 118385164
N-[1-cyclobutyl-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 145176661
4-methyl-3-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 120522343
4-bromo-2-(3-methyl-2-pyridinyl)-1,3-thiazole
CID 155230325

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2S,5R)-5-aminooxepan-2-yl]-1H-pyrazol-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-[(2S,5R)-5-aminooxepan-2-yl]-1H-pyrazol-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide (CID 146243154) is N-[5-[(2S,5R)-5-aminooxepan-2-yl]-1H-pyrazol-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-[(2S,5R)-5-aminooxepan-2-yl]-1H-pyrazol-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-[(2S,5R)-5-aminooxepan-2-yl]-1H-pyrazol-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide is Cc1cccnc1-c1nc(C(=O)Nc2cn[nH]c2[C@@H]2CC[C@@H](N)CCO2)cs1.
What is the InChIKey of N-[5-[(2S,5R)-5-aminooxepan-2-yl]-1H-pyrazol-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is VTPKQYFGHGFNRI-DOMZBBRYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-11-3-2-7-21-16(11)19-24-14(10-28-19)18(26)23-13-9-22-25-17(13)15-5-4-12(20)6-8-27-15/h2-3,7,9-10,12,15H,4-6,8,20H2,1H3,(H,22,25)(H,23,26)/t12-,15+/m1/s1.
What are the key properties of N-[5-[(2S,5R)-5-aminooxepan-2-yl]-1H-pyrazol-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide?
N-[5-[(2S,5R)-5-aminooxepan-2-yl]-1H-pyrazol-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2S,5R)-5-aminooxepan-2-yl]-1H-pyrazol-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 146243154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).