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

C13H18N4S — CID 114127097

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCC(CNCc1cncn1C1CC1)c1nccs1
InChIInChI=1S/C13H18N4S/c1-10(13-16-4-5-18-13)6-14-7-12-8-15-9-17(12)11-2-3-11/h4-5,8-11,14H,2-3,6-7H2,1H3
InChIKeyOUSZFQGFAGFCNB-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.57
Rot. Bonds6

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

N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 114127097) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID114127097
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCC(CNCc1cncn1C1CC1)c1nccs1
InChIInChI=1S/C13H18N4S/c1-10(13-16-4-5-18-13)6-14-7-12-8-15-9-17(12)11-2-3-11/h4-5,8-11,14H,2-3,6-7H2,1H3
InChIKeyOUSZFQGFAGFCNB-UHFFFAOYSA-N
XLogP2.57
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66140601
N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine
CID 66147142
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 114130251
2-methyl-N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 66151221
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588596
N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide
CID 66162278
N-[2-(3-cyclopropylimidazol-4-yl)ethyl]-2-methylpropan-1-amine
CID 66140393
N-(1H-imidazol-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588712
N-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine
CID 66163065
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588641
N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 66151422
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588597

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine (CID 114127097) is N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine is CC(CNCc1cncn1C1CC1)c1nccs1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is OUSZFQGFAGFCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-10(13-16-4-5-18-13)6-14-7-12-8-15-9-17(12)11-2-3-11/h4-5,8-11,14H,2-3,6-7H2,1H3.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 262.38 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 114127097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).