2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]propan-1-amine

C12H18N4S — CID 102969605

IUPAC2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]propan-1-amine
SMILESCc1csc(Cn2cncc2C(N)C(C)C)n1
InChIInChI=1S/C12H18N4S/c1-8(2)12(13)10-4-14-7-16(10)5-11-15-9(3)6-17-11/h4,6-8,12H,5,13H2,1-3H3
InChIKeyQJAPSWYUYUWIPJ-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.35
Rot. Bonds4

About 2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]propan-1-amine

2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]propan-1-amine (PubChem CID 102969605) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]propan-1-amine
PubChem CID102969605
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]propan-1-amine
SMILESCc1csc(Cn2cncc2C(N)C(C)C)n1
InChIInChI=1S/C12H18N4S/c1-8(2)12(13)10-4-14-7-16(10)5-11-15-9(3)6-17-11/h4,6-8,12H,5,13H2,1-3H3
InChIKeyQJAPSWYUYUWIPJ-UHFFFAOYSA-N
XLogP2.35
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]ethanamine
CID 114704901
[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718953
N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66149261
(1R)-1-[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]propan-1-amine
CID 104943036
(3-ethylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 66134318
1-[3-(2-methoxyethyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969486
1-[3-(2-ethylbutyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969891
2-methyl-1-[3-(2-methylsulfanylethyl)imidazol-4-yl]propan-1-amine
CID 102969725
1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969656
3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]propanamide
CID 102969533
1-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969676
2-methyl-1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]propan-1-amine
CID 114174001

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]propan-1-amine (CID 102969605) is 2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]propan-1-amine is Cc1csc(Cn2cncc2C(N)C(C)C)n1.
What is the InChIKey of 2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]propan-1-amine?
The InChIKey is QJAPSWYUYUWIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-8(2)12(13)10-4-14-7-16(10)5-11-15-9(3)6-17-11/h4,6-8,12H,5,13H2,1-3H3.
What are the key properties of 2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]propan-1-amine?
2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]propan-1-amine has a molecular weight of 250.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 102969605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).