N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

C15H17N3OS — CID 51927656

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)N[C@H]1CCc2ccccc21
InChIInChI=1S/C15H17N3OS/c1-9-13(15(16-2)20-18-9)14(19)17-12-8-7-10-5-3-4-6-11(10)12/h3-6,12,16H,7-8H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeySMWYLRZAULOOGF-LBPRGKRZSA-N
MW287.39 g/mol
LogP2.91
Rot. Bonds3

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide (PubChem CID 51927656) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
PubChem CID51927656
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)N[C@H]1CCc2ccccc21
InChIInChI=1S/C15H17N3OS/c1-9-13(15(16-2)20-18-9)14(19)17-12-8-7-10-5-3-4-6-11(10)12/h3-6,12,16H,7-8H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeySMWYLRZAULOOGF-LBPRGKRZSA-N
XLogP2.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide (CID 51927656) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)N[C@H]1CCc2ccccc21.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is SMWYLRZAULOOGF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-9-13(15(16-2)20-18-9)14(19)17-12-8-7-10-5-3-4-6-11(10)12/h3-6,12,16H,7-8H2,1-2H3,(H,17,19)/t12-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 51927656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).