N-(1-methylindazol-3-yl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide

C17H19N5OS — CID 136567478

IUPACN-(1-methylindazol-3-yl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide
SMILESCn1nc(NC(=O)c2csc(N3CCCCC3)n2)c2ccccc21
InChIInChI=1S/C17H19N5OS/c1-21-14-8-4-3-7-12(14)15(20-21)19-16(23)13-11-24-17(18-13)22-9-5-2-6-10-22/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,20,23)
InChIKeyQIDWCTVXQRDCAL-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.27
Rot. Bonds3

About N-(1-methylindazol-3-yl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide

N-(1-methylindazol-3-yl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide (PubChem CID 136567478) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(1-methylindazol-3-yl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylindazol-3-yl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide
PubChem CID136567478
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-(1-methylindazol-3-yl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide
SMILESCn1nc(NC(=O)c2csc(N3CCCCC3)n2)c2ccccc21
InChIInChI=1S/C17H19N5OS/c1-21-14-8-4-3-7-12(14)15(20-21)19-16(23)13-11-24-17(18-13)22-9-5-2-6-10-22/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,20,23)
InChIKeyQIDWCTVXQRDCAL-UHFFFAOYSA-N
XLogP3.27
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(azetidin-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide
CID 151079036
N-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 69168862
2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
CID 131092459
N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide
CID 166294874
1-(1-methylindazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propane-1,3-dione
CID 103119513
N-(4-acetyl-1,3-thiazol-2-yl)-1-methylindazole-3-carboxamide
CID 103118181
2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide
CID 67450642
methyl 1-[[(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate
CID 126840041
ethyl 2-(azepan-1-yl)-1,3-thiazole-4-carboxylate
CID 80568096
(E)-4-[(1-methylindazol-3-yl)amino]-4-oxobut-2-enoic acid
CID 122360690
2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 126828912
4,6-dichloro-5-hydroxy-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-3-yl)pyridine-2-carboxamide
CID 170397876

Frequently Asked Questions

What is the IUPAC name of N-(1-methylindazol-3-yl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-methylindazol-3-yl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide (CID 136567478) is N-(1-methylindazol-3-yl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-methylindazol-3-yl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-methylindazol-3-yl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide is Cn1nc(NC(=O)c2csc(N3CCCCC3)n2)c2ccccc21.
What is the InChIKey of N-(1-methylindazol-3-yl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide?
The InChIKey is QIDWCTVXQRDCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-21-14-8-4-3-7-12(14)15(20-21)19-16(23)13-11-24-17(18-13)22-9-5-2-6-10-22/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,20,23).
What are the key properties of N-(1-methylindazol-3-yl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide?
N-(1-methylindazol-3-yl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindazol-3-yl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 136567478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).