N-[[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C15H24N4S — CID 114362981

IUPACN-[[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1sc(-c2nccn2C)nc1C(C)(C)C
InChIInChI=1S/C15H24N4S/c1-10(2)17-9-11-12(15(3,4)5)18-14(20-11)13-16-7-8-19(13)6/h7-8,10,17H,9H2,1-6H3
InChIKeySQHGETGOLDEIKF-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.34
Rot. Bonds4

About N-[[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114362981) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114362981
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC NameN-[[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1sc(-c2nccn2C)nc1C(C)(C)C
InChIInChI=1S/C15H24N4S/c1-10(2)17-9-11-12(15(3,4)5)18-14(20-11)13-16-7-8-19(13)6/h7-8,10,17H,9H2,1-6H3
InChIKeySQHGETGOLDEIKF-UHFFFAOYSA-N
XLogP3.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine with MolForge

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Related Compounds

1-[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362377
N-[[2-(1-methylimidazol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365417
N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62766344
N-[(2-butyl-4-tert-butyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 114363063
N-[(4-tert-butyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 82439750
N-[[4-tert-butyl-2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114363090
N-[[4-tert-butyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62769320
5-methyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-4-amine
CID 83108379
N-[[4-methyl-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63839460
1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82438547
N-[(4-propan-2-yl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 114365434
N-[[4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62764654

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114362981) is N-[[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)NCc1sc(-c2nccn2C)nc1C(C)(C)C.
What is the InChIKey of N-[[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is SQHGETGOLDEIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-10(2)17-9-11-12(15(3,4)5)18-14(20-11)13-16-7-8-19(13)6/h7-8,10,17H,9H2,1-6H3.
What are the key properties of N-[[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 292.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114362981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).