(2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine

C12H18N4S — CID 125440368

IUPAC(2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine
SMILESCCc1nccn1C[C@H](C)NCc1cscn1
InChIInChI=1S/C12H18N4S/c1-3-12-13-4-5-16(12)7-10(2)14-6-11-8-17-9-15-11/h4-5,8-10,14H,3,6-7H2,1-2H3/t10-/m0/s1
InChIKeyIFQZPDDIXPVNEI-JTQLQIEISA-N
MW250.37 g/mol
LogP2.08
Rot. Bonds6

About (2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine

(2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine (PubChem CID 125440368) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is (2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine
PubChem CID125440368
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name(2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine
SMILESCCc1nccn1C[C@H](C)NCc1cscn1
InChIInChI=1S/C12H18N4S/c1-3-12-13-4-5-16(12)7-10(2)14-6-11-8-17-9-15-11/h4-5,8-10,14H,3,6-7H2,1-2H3/t10-/m0/s1
InChIKeyIFQZPDDIXPVNEI-JTQLQIEISA-N
XLogP2.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine
CID 16227799
N-(1-imidazol-1-ylpropan-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 53498805
4-Methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole
CID 56778657
N-[(1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
CID 71868809
N-(1H-imidazol-2-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
CID 71986332
1-[[1-(2-Methylpropyl)imidazol-2-yl]methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 71990205
4-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine
CID 71683819
3-(1-isopropyl-1H-imidazol-2-yl)-1-(1,3-thiazol-4-ylmethyl)piperidine
CID 72847349
4-(1H-Imidazol-2-YL)-thiazole
CID 17942300
Imidazo[2,1-b]thiazole-3-methanamine
CID 82125040
N-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 86774778
N-methyl-4-({methyl[2-(2-methyl-1H-imidazol-1-yl)ethyl]amino}methyl)-1,3-thiazol-2-amine
CID 91829447

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine?
The IUPAC name of (2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine (CID 125440368) is (2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine.
What is the SMILES notation for (2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine?
The canonical SMILES for (2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine is CCc1nccn1C[C@H](C)NCc1cscn1.
What is the InChIKey of (2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine?
The InChIKey is IFQZPDDIXPVNEI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N4S/c1-3-12-13-4-5-16(12)7-10(2)14-6-11-8-17-9-15-11/h4-5,8-10,14H,3,6-7H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine?
(2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 125440368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).