N-(1,3-benzothiazol-2-yl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide

C17H17N3O2S2 — CID 47061565

IUPACN-(1,3-benzothiazol-2-yl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(CC1CCCO1)c1nc2ccccc2s1
InChIInChI=1S/C17H17N3O2S2/c1-11-15(23-10-18-11)16(21)20(9-12-5-4-8-22-12)17-19-13-6-2-3-7-14(13)24-17/h2-3,6-7,10,12H,4-5,8-9H2,1H3
InChIKeyUQLKNSLQJDHNPE-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.89
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide

N-(1,3-benzothiazol-2-yl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 47061565) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID47061565
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(CC1CCCO1)c1nc2ccccc2s1
InChIInChI=1S/C17H17N3O2S2/c1-11-15(23-10-18-11)16(21)20(9-12-5-4-8-22-12)17-19-13-6-2-3-7-14(13)24-17/h2-3,6-7,10,12H,4-5,8-9H2,1H3
InChIKeyUQLKNSLQJDHNPE-UHFFFAOYSA-N
XLogP3.89
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-methyl-N-(oxolan-2-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 42892188
N-(1,3-benzothiazol-2-yl)-6-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 31111341
N-(1,3-benzothiazol-2-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 42589892
ethyl 6-[1,3-benzothiazol-2-yl(oxolan-2-ylmethyl)carbamoyl]-2-methylpyridine-3-carboxylate
CID 55600379
N-(1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 26115916
N-(1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 51923609
N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)quinoline-5-carboxamide
CID 55487046
N-(1,3-benzothiazol-2-yl)-3-methyl-4-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8780893
N-(1,3-benzothiazol-2-yl)-3,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyridine-2-carboxamide
CID 26116057
N-(1,3-benzothiazol-2-yl)-2-(2-methylphenyl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 35770350
N-(1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 8720144
N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2522203

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 47061565) is N-(1,3-benzothiazol-2-yl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(CC1CCCO1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is UQLKNSLQJDHNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-11-15(23-10-18-11)16(21)20(9-12-5-4-8-22-12)17-19-13-6-2-3-7-14(13)24-17/h2-3,6-7,10,12H,4-5,8-9H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
N-(1,3-benzothiazol-2-yl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 359.48 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47061565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).