N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-5-methoxy-1H-indazole-3-carboxamide

C16H16N4O3S — CID 166380438

IUPACN-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-5-methoxy-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]nc(C(=O)Nc3ncc(C4(O)CCC4)s3)c2c1
InChIInChI=1S/C16H16N4O3S/c1-23-9-3-4-11-10(7-9)13(20-19-11)14(21)18-15-17-8-12(24-15)16(22)5-2-6-16/h3-4,7-8,22H,2,5-6H2,1H3,(H,19,20)(H,17,18,21)
InChIKeySDMDQLUOJXQSSK-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.65
Rot. Bonds4

About N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-5-methoxy-1H-indazole-3-carboxamide

N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-5-methoxy-1H-indazole-3-carboxamide (PubChem CID 166380438) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-5-methoxy-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-5-methoxy-1H-indazole-3-carboxamide
PubChem CID166380438
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-5-methoxy-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]nc(C(=O)Nc3ncc(C4(O)CCC4)s3)c2c1
InChIInChI=1S/C16H16N4O3S/c1-23-9-3-4-11-10(7-9)13(20-19-11)14(21)18-15-17-8-12(24-15)16(22)5-2-6-16/h3-4,7-8,22H,2,5-6H2,1H3,(H,19,20)(H,17,18,21)
InChIKeySDMDQLUOJXQSSK-UHFFFAOYSA-N
XLogP2.65
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide
CID 11509046
5-(2,3-dimethylimidazol-4-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide
CID 139448036
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methoxy-1H-indazol-3-yl)methanone
CID 95711696
5-methoxy-N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-3-carboxamide
CID 23658514
methoxy-[6-[(5-methyl-1H-indazole-3-carbonyl)amino]-3-pyridinyl]-oxoazanium
CID 142999120
(1-bromocyclopentyl)-(6-methoxy-1H-indazol-3-yl)methanone
CID 68850204
8-(5-methoxy-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70752123
N-(3-methoxyphenyl)-4-oxo-1H-cinnoline-3-carboxamide
CID 21241368
N-(3-bromo-5-methoxyphenyl)-1H-indazole-3-carboxamide
CID 82860621
6-methoxy-N-propyl-1H-indazole-3-carboxamide
CID 110469559
5,6-dimethoxy-N-phenyl-1H-indazole-3-carboxamide
CID 154174808
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide
CID 75490269

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-5-methoxy-1H-indazole-3-carboxamide?
The IUPAC name of N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-5-methoxy-1H-indazole-3-carboxamide (CID 166380438) is N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-5-methoxy-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-5-methoxy-1H-indazole-3-carboxamide?
The canonical SMILES for N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-5-methoxy-1H-indazole-3-carboxamide is COc1ccc2[nH]nc(C(=O)Nc3ncc(C4(O)CCC4)s3)c2c1.
What is the InChIKey of N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-5-methoxy-1H-indazole-3-carboxamide?
The InChIKey is SDMDQLUOJXQSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-23-9-3-4-11-10(7-9)13(20-19-11)14(21)18-15-17-8-12(24-15)16(22)5-2-6-16/h3-4,7-8,22H,2,5-6H2,1H3,(H,19,20)(H,17,18,21).
What are the key properties of N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-5-methoxy-1H-indazole-3-carboxamide?
N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-5-methoxy-1H-indazole-3-carboxamide has a molecular weight of 344.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-5-methoxy-1H-indazole-3-carboxamide is sourced from PubChem (CID 166380438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).