N-(cyclopropylmethyl)-6-[(2-methylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide

C17H23N3O2S — CID 131670712

IUPACN-(cyclopropylmethyl)-6-[(2-methylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide
SMILESCC1CC1C(=O)NC1CCc2nc(C(=O)NCC3CC3)sc2C1
InChIInChI=1S/C17H23N3O2S/c1-9-6-12(9)15(21)19-11-4-5-13-14(7-11)23-17(20-13)16(22)18-8-10-2-3-10/h9-12H,2-8H2,1H3,(H,18,22)(H,19,21)
InChIKeyYLCPRKFKCOEWAV-UHFFFAOYSA-N
MW333.46 g/mol
LogP1.91
Rot. Bonds5

About N-(cyclopropylmethyl)-6-[(2-methylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide

N-(cyclopropylmethyl)-6-[(2-methylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide (PubChem CID 131670712) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[(2-methylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-[(2-methylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide
PubChem CID131670712
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-(cyclopropylmethyl)-6-[(2-methylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide
SMILESCC1CC1C(=O)NC1CCc2nc(C(=O)NCC3CC3)sc2C1
InChIInChI=1S/C17H23N3O2S/c1-9-6-12(9)15(21)19-11-4-5-13-14(7-11)23-17(20-13)16(22)18-8-10-2-3-10/h9-12H,2-8H2,1H3,(H,18,22)(H,19,21)
InChIKeyYLCPRKFKCOEWAV-UHFFFAOYSA-N
XLogP1.91
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(cyclopropylmethyl)-6-[(2-methylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide with MolForge

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Related Compounds

N-[2-(dimethylamino)ethyl]-6-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide
CID 131673333
N-(2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)propanamide
CID 66614061
(2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)carbamic acid
CID 118431128
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide
CID 86312812
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide;dihydrobromide
CID 87704338
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]propanamide;(6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 175005405
6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylic acid
CID 174680011
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(1,3-dioxolan-2-yl)acetamide
CID 155952110
1-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanone
CID 63526150
cis-(1S,2R)-2-methyl-N-[(6S)-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
CID 100850122
6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde
CID 140994202
4-ethyl-N-[[4-[[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 167930823

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-[(2-methylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-[(2-methylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide (CID 131670712) is N-(cyclopropylmethyl)-6-[(2-methylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-[(2-methylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-[(2-methylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide is CC1CC1C(=O)NC1CCc2nc(C(=O)NCC3CC3)sc2C1.
What is the InChIKey of N-(cyclopropylmethyl)-6-[(2-methylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide?
The InChIKey is YLCPRKFKCOEWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-9-6-12(9)15(21)19-11-4-5-13-14(7-11)23-17(20-13)16(22)18-8-10-2-3-10/h9-12H,2-8H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-(cyclopropylmethyl)-6-[(2-methylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide?
N-(cyclopropylmethyl)-6-[(2-methylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-[(2-methylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 131670712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).