N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide

C15H13N5OS — CID 95294639

IUPACN-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@@H]1CCc2ccccc21)c1csc(-c2ncn[nH]2)n1
InChIInChI=1S/C15H13N5OS/c21-14(12-7-22-15(19-12)13-16-8-17-20-13)18-11-6-5-9-3-1-2-4-10(9)11/h1-4,7-8,11H,5-6H2,(H,18,21)(H,16,17,20)/t11-/m1/s1
InChIKeyUNWZKKNFYQOVBP-LLVKDONJSA-N
MW311.37 g/mol
LogP2.35
Rot. Bonds3

About N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 95294639) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID95294639
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@@H]1CCc2ccccc21)c1csc(-c2ncn[nH]2)n1
InChIInChI=1S/C15H13N5OS/c21-14(12-7-22-15(19-12)13-16-8-17-20-13)18-11-6-5-9-3-1-2-4-10(9)11/h1-4,7-8,11H,5-6H2,(H,18,21)(H,16,17,20)/t11-/m1/s1
InChIKeyUNWZKKNFYQOVBP-LLVKDONJSA-N
XLogP2.35
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-ethynyl-1,3-thiazole-4-carboxamide
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N-(2,3-dihydro-1H-inden-1-yl)-2-piperidin-3-yl-1,3-thiazole-4-carboxamide
CID 3715181
2-(cyclohexylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide
CID 57480048
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 126432000
2-(2-piperidin-1-yl-4-pyridinyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide
CID 95056667
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 40812760
N-[(1R)-1-(2-methylphenyl)ethyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide
CID 95283560
N-(2,3-dihydro-1H-inden-1-yl)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 17439358
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide
CID 23789984
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 94811628
N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide
CID 95353632
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 51101277

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide (CID 95294639) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide is O=C(N[C@@H]1CCc2ccccc21)c1csc(-c2ncn[nH]2)n1.
What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is UNWZKKNFYQOVBP-LLVKDONJSA-N. The full InChI is InChI=1S/C15H13N5OS/c21-14(12-7-22-15(19-12)13-16-8-17-20-13)18-11-6-5-9-3-1-2-4-10(9)11/h1-4,7-8,11H,5-6H2,(H,18,21)(H,16,17,20)/t11-/m1/s1.
What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide?
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 95294639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).