N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine

C16H26N4S — CID 119122339

IUPACN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
SMILESCc1nccn1CC(C)CNCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C16H26N4S/c1-12(11-20-7-6-18-13(20)2)8-17-9-14-10-19-15(21-14)16(3,4)5/h6-7,10,12,17H,8-9,11H2,1-5H3
InChIKeyYNAWPTFZJIMCBU-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.37
Rot. Bonds6

About N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine (PubChem CID 119122339) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
PubChem CID119122339
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
SMILESCc1nccn1CC(C)CNCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C16H26N4S/c1-12(11-20-7-6-18-13(20)2)8-17-9-14-10-19-15(21-14)16(3,4)5/h6-7,10,12,17H,8-9,11H2,1-5H3
InChIKeyYNAWPTFZJIMCBU-UHFFFAOYSA-N
XLogP3.37
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine (CID 119122339) is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine is Cc1nccn1CC(C)CNCc1cnc(C(C)(C)C)s1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine?
The InChIKey is YNAWPTFZJIMCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-12(11-20-7-6-18-13(20)2)8-17-9-14-10-19-15(21-14)16(3,4)5/h6-7,10,12,17H,8-9,11H2,1-5H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine?
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine has a molecular weight of 306.48 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 119122339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).