N,N,4-trimethyl-2-[[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide

C17H24N6O2S — CID 92612705

IUPACN,N,4-trimethyl-2-[[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)CN2CCC[C@@H]2Cn2cccn2)sc1C(=O)N(C)C
InChIInChI=1S/C17H24N6O2S/c1-12-15(16(25)21(2)3)26-17(19-12)20-14(24)11-22-8-4-6-13(22)10-23-9-5-7-18-23/h5,7,9,13H,4,6,8,10-11H2,1-3H3,(H,19,20,24)/t13-/m1/s1
InChIKeyHIFSMMSCPVPVEX-CYBMUJFWSA-N
MW376.49 g/mol
LogP1.45
Rot. Bonds6

About N,N,4-trimethyl-2-[[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-[[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 92612705) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID92612705
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC NameN,N,4-trimethyl-2-[[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)CN2CCC[C@@H]2Cn2cccn2)sc1C(=O)N(C)C
InChIInChI=1S/C17H24N6O2S/c1-12-15(16(25)21(2)3)26-17(19-12)20-14(24)11-22-8-4-6-13(22)10-23-9-5-7-18-23/h5,7,9,13H,4,6,8,10-11H2,1-3H3,(H,19,20,24)/t13-/m1/s1
InChIKeyHIFSMMSCPVPVEX-CYBMUJFWSA-N
XLogP1.45
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide (CID 92612705) is N,N,4-trimethyl-2-[[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)CN2CCC[C@@H]2Cn2cccn2)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is HIFSMMSCPVPVEX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-12-15(16(25)21(2)3)26-17(19-12)20-14(24)11-22-8-4-6-13(22)10-23-9-5-7-18-23/h5,7,9,13H,4,6,8,10-11H2,1-3H3,(H,19,20,24)/t13-/m1/s1.
What are the key properties of N,N,4-trimethyl-2-[[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 376.49 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 92612705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).