N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide

C16H19N5OS — CID 125446947

IUPACN-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N[C@@H](C)c1nc2ccccc2n1C
InChIInChI=1S/C16H19N5OS/c1-4-7-12-14(23-20-19-12)16(22)17-10(2)15-18-11-8-5-6-9-13(11)21(15)3/h5-6,8-10H,4,7H2,1-3H3,(H,17,22)/t10-/m0/s1
InChIKeyCPBITNMQKUWYJN-JTQLQIEISA-N
MW329.43 g/mol
LogP2.87
Rot. Bonds5

About N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide

N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide (PubChem CID 125446947) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide
PubChem CID125446947
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC NameN-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N[C@@H](C)c1nc2ccccc2n1C
InChIInChI=1S/C16H19N5OS/c1-4-7-12-14(23-20-19-12)16(22)17-10(2)15-18-11-8-5-6-9-13(11)21(15)3/h5-6,8-10H,4,7H2,1-3H3,(H,17,22)/t10-/m0/s1
InChIKeyCPBITNMQKUWYJN-JTQLQIEISA-N
XLogP2.87
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 751122
2-acetyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 124608305
N-[1-(4-bromophenyl)ethyl]-4-propylthiadiazole-5-carboxamide
CID 65205384
1,1-dimethyl-3-[2-[1-(1-methylbenzimidazol-2-yl)ethylamino]ethyl]urea
CID 83108527
N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 16966659
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106
2-(4-ethylpiperazin-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 131944683
2-methoxy-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 751110
N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
CID 43192433

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide (CID 125446947) is N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)N[C@@H](C)c1nc2ccccc2n1C.
What is the InChIKey of N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is CPBITNMQKUWYJN-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19N5OS/c1-4-7-12-14(23-20-19-12)16(22)17-10(2)15-18-11-8-5-6-9-13(11)21(15)3/h5-6,8-10H,4,7H2,1-3H3,(H,17,22)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide?
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 125446947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).