4-(1-tert-butylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine

C15H18N4S — CID 79403111

IUPAC4-(1-tert-butylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
SMILESCc1nsc(N)c1-c1nc2ccccc2n1C(C)(C)C
InChIInChI=1S/C15H18N4S/c1-9-12(13(16)20-18-9)14-17-10-7-5-6-8-11(10)19(14)15(2,3)4/h5-8H,16H2,1-4H3
InChIKeyCUGGNQCCMPISSS-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.81
Rot. Bonds1

About 4-(1-tert-butylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine

4-(1-tert-butylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine (PubChem CID 79403111) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-(1-tert-butylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-(1-tert-butylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
PubChem CID79403111
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name4-(1-tert-butylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
SMILESCc1nsc(N)c1-c1nc2ccccc2n1C(C)(C)C
InChIInChI=1S/C15H18N4S/c1-9-12(13(16)20-18-9)14-17-10-7-5-6-8-11(10)19(14)15(2,3)4/h5-8H,16H2,1-4H3
InChIKeyCUGGNQCCMPISSS-UHFFFAOYSA-N
XLogP3.81
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of 4-(1-tert-butylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine (CID 79403111) is 4-(1-tert-butylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for 4-(1-tert-butylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for 4-(1-tert-butylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine is Cc1nsc(N)c1-c1nc2ccccc2n1C(C)(C)C.
What is the InChIKey of 4-(1-tert-butylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine?
The InChIKey is CUGGNQCCMPISSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-9-12(13(16)20-18-9)14-17-10-7-5-6-8-11(10)19(14)15(2,3)4/h5-8H,16H2,1-4H3.
What are the key properties of 4-(1-tert-butylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine?
4-(1-tert-butylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine has a molecular weight of 286.40 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 79403111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).