N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide

C18H15N5OS — CID 95234713

IUPACN-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide
SMILESCn1c([C@@H](NC(=O)c2cnns2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C18H15N5OS/c1-23-14-10-6-5-9-13(14)20-17(23)16(12-7-3-2-4-8-12)21-18(24)15-11-19-22-25-15/h2-11,16H,1H3,(H,21,24)/t16-/m0/s1
InChIKeyOPVOLSYSKLZRKV-INIZCTEOSA-N
MW349.42 g/mol
LogP2.94
Rot. Bonds4

About N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide

N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide (PubChem CID 95234713) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide
PubChem CID95234713
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC NameN-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide
SMILESCn1c([C@@H](NC(=O)c2cnns2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C18H15N5OS/c1-23-14-10-6-5-9-13(14)20-17(23)16(12-7-3-2-4-8-12)21-18(24)15-11-19-22-25-15/h2-11,16H,1H3,(H,21,24)/t16-/m0/s1
InChIKeyOPVOLSYSKLZRKV-INIZCTEOSA-N
XLogP2.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea
CID 86816785
2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride
CID 119863897
7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide
CID 119863894
N-methyl-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 3009976
1-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-3-pyridin-3-ylurea
CID 52535419
3,4,5-triethoxy-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]benzamide
CID 60588886
N-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]thiadiazole-5-carboxamide
CID 97226668
2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide
CID 52535851
methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate
CID 99613603
N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86846813
N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-N',N'-dipropylpentanediamide
CID 56540206
N-[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 94821546

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide?
The IUPAC name of N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide (CID 95234713) is N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide is Cn1c([C@@H](NC(=O)c2cnns2)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide?
The InChIKey is OPVOLSYSKLZRKV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-23-14-10-6-5-9-13(14)20-17(23)16(12-7-3-2-4-8-12)21-18(24)15-11-19-22-25-15/h2-11,16H,1H3,(H,21,24)/t16-/m0/s1.
What are the key properties of N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide?
N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 95234713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).