N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C16H21N5S — CID 133426443

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(N[C@H](c2nc3ccccc3[nH]2)C(C)C)n1
InChIInChI=1S/C16H21N5S/c1-9(2)13(19-16-20-14(10(3)4)21-22-16)15-17-11-7-5-6-8-12(11)18-15/h5-10,13H,1-4H3,(H,17,18)(H,19,20,21)/t13-/m0/s1
InChIKeyZHHDOUTUGRYXLK-ZDUSSCGKSA-N
MW315.45 g/mol
LogP4.35
Rot. Bonds5

About N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 133426443) has the molecular formula C16H21N5S and a molecular weight of 315.45 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID133426443
Molecular FormulaC16H21N5S
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(N[C@H](c2nc3ccccc3[nH]2)C(C)C)n1
InChIInChI=1S/C16H21N5S/c1-9(2)13(19-16-20-14(10(3)4)21-22-16)15-17-11-7-5-6-8-12(11)18-15/h5-10,13H,1-4H3,(H,17,18)(H,19,20,21)/t13-/m0/s1
InChIKeyZHHDOUTUGRYXLK-ZDUSSCGKSA-N
XLogP4.35
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 133426443) is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(N[C@H](c2nc3ccccc3[nH]2)C(C)C)n1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is ZHHDOUTUGRYXLK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5S/c1-9(2)13(19-16-20-14(10(3)4)21-22-16)15-17-11-7-5-6-8-12(11)18-15/h5-10,13H,1-4H3,(H,17,18)(H,19,20,21)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 315.45 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133426443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).