2,4-dimethyl-N-[[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide

C20H27N5O2S — CID 164636362

IUPAC2,4-dimethyl-N-[[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC[C@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)s1
InChIInChI=1S/C20H27N5O2S/c1-12-18(28-13(2)22-12)19(26)21-10-14-6-5-9-25(11-14)20(27)17-15-7-3-4-8-16(15)23-24-17/h14H,3-11H2,1-2H3,(H,21,26)(H,23,24)/t14-/m1/s1
InChIKeyGGDPABPGTZGZAG-CQSZACIVSA-N
MW401.54 g/mol
LogP2.64
Rot. Bonds4

About 2,4-dimethyl-N-[[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 164636362) has the molecular formula C20H27N5O2S and a molecular weight of 401.54 g/mol. Its IUPAC name is 2,4-dimethyl-N-[[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID164636362
Molecular FormulaC20H27N5O2S
Molecular Weight401.54 g/mol
Exact Mass401.19
IUPAC Name2,4-dimethyl-N-[[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC[C@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)s1
InChIInChI=1S/C20H27N5O2S/c1-12-18(28-13(2)22-12)19(26)21-10-14-6-5-9-25(11-14)20(27)17-15-7-3-4-8-16(15)23-24-17/h14H,3-11H2,1-2H3,(H,21,26)(H,23,24)/t14-/m1/s1
InChIKeyGGDPABPGTZGZAG-CQSZACIVSA-N
XLogP2.64
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-1-isobutyl-5-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26146434
3-cyclopentyl-5-[(2-methoxy-4-methyl-1,3-thiazol-5-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 28871914
3-(1-(2,4-dimethylthiazole-5-carbonyl)piperidin-2-yl)-1H-pyrazole-5-carboxamide
CID 91628810
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 77093306
5-[(3S)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217745
5-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 125525000
N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 164638031
5-[(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26142162
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 72112506
3-(1-(2,4-dimethylthiazole-5-carbonyl)piperidin-4-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 91816578
3-(1-(4-methylthiazole-5-carbonyl)piperidin-4-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 92107940
N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 120469614

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide (CID 164636362) is 2,4-dimethyl-N-[[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NC[C@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)s1.
What is the InChIKey of 2,4-dimethyl-N-[[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is GGDPABPGTZGZAG-CQSZACIVSA-N. The full InChI is InChI=1S/C20H27N5O2S/c1-12-18(28-13(2)22-12)19(26)21-10-14-6-5-9-25(11-14)20(27)17-15-7-3-4-8-16(15)23-24-17/h14H,3-11H2,1-2H3,(H,21,26)(H,23,24)/t14-/m1/s1.
What are the key properties of 2,4-dimethyl-N-[[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 401.54 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 164636362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).