1-tert-butyl-N-[(2R)-2-hydroxypropyl]-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide

C20H25N5O3S — CID 59001541

IUPAC1-tert-butyl-N-[(2R)-2-hydroxypropyl]-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
SMILESCc1ccc(C(=O)Nc2nc3c(s2)c(C(=O)NC[C@@H](C)O)nn3C(C)(C)C)cc1
InChIInChI=1S/C20H25N5O3S/c1-11-6-8-13(9-7-11)17(27)23-19-22-16-15(29-19)14(18(28)21-10-12(2)26)24-25(16)20(3,4)5/h6-9,12,26H,10H2,1-5H3,(H,21,28)(H,22,23,27)/t12-/m1/s1
InChIKeyXQRYDMVYAKWARP-GFCCVEGCSA-N
MW415.52 g/mol
LogP2.92
Rot. Bonds5

About 1-tert-butyl-N-[(2R)-2-hydroxypropyl]-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide

1-tert-butyl-N-[(2R)-2-hydroxypropyl]-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide (PubChem CID 59001541) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-tert-butyl-N-[(2R)-2-hydroxypropyl]-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[(2R)-2-hydroxypropyl]-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
PubChem CID59001541
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC Name1-tert-butyl-N-[(2R)-2-hydroxypropyl]-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
SMILESCc1ccc(C(=O)Nc2nc3c(s2)c(C(=O)NC[C@@H](C)O)nn3C(C)(C)C)cc1
InChIInChI=1S/C20H25N5O3S/c1-11-6-8-13(9-7-11)17(27)23-19-22-16-15(29-19)14(18(28)21-10-12(2)26)24-25(16)20(3,4)5/h6-9,12,26H,10H2,1-5H3,(H,21,28)(H,22,23,27)/t12-/m1/s1
InChIKeyXQRYDMVYAKWARP-GFCCVEGCSA-N
XLogP2.92
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-tert-butyl-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 59001206
5-benzamido-1-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 59001482
N-[3-[(2S)-2-(aminomethyl)pyrrolidine-1-carbonyl]-1-tert-butylpyrazolo[5,4-d][1,3]thiazol-5-yl]-4-methylbenzamide
CID 59001383
N-[1-tert-butyl-3-[(2S)-2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-4-methylbenzamide
CID 59001575
1-tert-butyl-5-[(4-ethylbenzoyl)amino]-N-(pyridin-4-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 59001228
5-benzamido-1-tert-butyl-N-(furan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 59001625
1-tert-butyl-5-[(3-chlorobenzoyl)amino]-N-(2-hydroxyethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 59001551
N-[1-tert-butyl-3-[(2S)-2-[(3-hydroxypyrrolidin-1-yl)methyl]pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-4-methylbenzamide
CID 59001440
N-[1-tert-butyl-3-(4-hydroxypiperidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-4-methoxybenzamide
CID 59001494
5-benzamido-1-tert-butyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 11698971
1-tert-butyl-5-[(3-chlorobenzoyl)amino]-N-(cyclopropylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 59001227
N-(1-methoxypropan-2-yl)-5-[(4-methylbenzoyl)amino]-1-prop-1-en-2-ylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 89320977

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[(2R)-2-hydroxypropyl]-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[(2R)-2-hydroxypropyl]-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide (CID 59001541) is 1-tert-butyl-N-[(2R)-2-hydroxypropyl]-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[(2R)-2-hydroxypropyl]-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[(2R)-2-hydroxypropyl]-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide is Cc1ccc(C(=O)Nc2nc3c(s2)c(C(=O)NC[C@@H](C)O)nn3C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-N-[(2R)-2-hydroxypropyl]-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The InChIKey is XQRYDMVYAKWARP-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-11-6-8-13(9-7-11)17(27)23-19-22-16-15(29-19)14(18(28)21-10-12(2)26)24-25(16)20(3,4)5/h6-9,12,26H,10H2,1-5H3,(H,21,28)(H,22,23,27)/t12-/m1/s1.
What are the key properties of 1-tert-butyl-N-[(2R)-2-hydroxypropyl]-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
1-tert-butyl-N-[(2R)-2-hydroxypropyl]-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[(2R)-2-hydroxypropyl]-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 59001541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).