5-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-amine

C13H13N5S — CID 171490605

IUPAC5-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-amine
SMILESCn1c([C@@H]2C[C@H]2c2nnc(N)s2)nc2ccccc21
InChIInChI=1S/C13H13N5S/c1-18-10-5-3-2-4-9(10)15-11(18)7-6-8(7)12-16-17-13(14)19-12/h2-5,7-8H,6H2,1H3,(H2,14,17)/t7-,8-/m1/s1
InChIKeyWNWXTOHDIRIOIC-HTQZYQBOSA-N
MW271.35 g/mol
LogP2.28
Rot. Bonds2

About 5-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-amine

5-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-amine (PubChem CID 171490605) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 5-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-amine
PubChem CID171490605
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name5-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-amine
SMILESCn1c([C@@H]2C[C@H]2c2nnc(N)s2)nc2ccccc21
InChIInChI=1S/C13H13N5S/c1-18-10-5-3-2-4-9(10)15-11(18)7-6-8(7)12-16-17-13(14)19-12/h2-5,7-8H,6H2,1H3,(H2,14,17)/t7-,8-/m1/s1
InChIKeyWNWXTOHDIRIOIC-HTQZYQBOSA-N
XLogP2.28
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 60792986
[2-cyclopropyl-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine
CID 90166375
[2-methoxy-6-[(2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine
CID 118423207
[2-methoxy-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine
CID 90166372
2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2,3-dimethyl-4-pyridinyl]cyclopropyl]-1-methylbenzimidazole
CID 123716868
1-methyl-2-[(1R,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]benzimidazole
CID 122393773
2-[(1S)-2-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-methyl-2-pyridinyl]cyclopropyl]-1-methylbenzimidazole
CID 90381651
2-[(1S)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole
CID 90381595
4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-[(2S)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-2-amine
CID 90381629
2-[(1R,2R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole
CID 71547705
2-methyl-1-[5-methyl-2-[2-methyl-6-[(1R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]propan-1-ol
CID 118423608
2,3,3-trimethyl-4-(1-methylbenzimidazol-2-yl)cyclohexan-1-amine
CID 102628107

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-amine (CID 171490605) is 5-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-amine is Cn1c([C@@H]2C[C@H]2c2nnc(N)s2)nc2ccccc21.
What is the InChIKey of 5-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is WNWXTOHDIRIOIC-HTQZYQBOSA-N. The full InChI is InChI=1S/C13H13N5S/c1-18-10-5-3-2-4-9(10)15-11(18)7-6-8(7)12-16-17-13(14)19-12/h2-5,7-8H,6H2,1H3,(H2,14,17)/t7-,8-/m1/s1.
What are the key properties of 5-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-amine?
5-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 271.35 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 171490605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).