N-[(3-cyclopropylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine

C16H24N4S — CID 66141042

IUPACN-[(3-cyclopropylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCCc1nc(C(NC(C)C)c2cncn2C2CC2)sc1C
InChIInChI=1S/C16H24N4S/c1-5-13-11(4)21-16(19-13)15(18-10(2)3)14-8-17-9-20(14)12-6-7-12/h8-10,12,15,18H,5-7H2,1-4H3
InChIKeyHYLSZJRUIIVLHQ-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.63
Rot. Bonds6

About N-[(3-cyclopropylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine

N-[(3-cyclopropylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 66141042) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID66141042
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCCc1nc(C(NC(C)C)c2cncn2C2CC2)sc1C
InChIInChI=1S/C16H24N4S/c1-5-13-11(4)21-16(19-13)15(18-10(2)3)14-8-17-9-20(14)12-6-7-12/h8-10,12,15,18H,5-7H2,1-4H3
InChIKeyHYLSZJRUIIVLHQ-UHFFFAOYSA-N
XLogP3.63
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 66133913
N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 66135561
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(2-methylphenyl)methyl]propan-2-amine
CID 61336192
N-[(1,3-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 83092056
N-[(3-cyclopropylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 66140055
N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61345618
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine
CID 61333888
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(3-ethylimidazol-4-yl)methyl]cyclopropanamine
CID 66133712
N-[(3-ethylimidazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 66133506
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxan-4-yl)methyl]propan-2-amine
CID 62385435
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]cyclopropanamine
CID 103572514
N-[(2,3-difluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 63668613

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine (CID 66141042) is N-[(3-cyclopropylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine is CCc1nc(C(NC(C)C)c2cncn2C2CC2)sc1C.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is HYLSZJRUIIVLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-5-13-11(4)21-16(19-13)15(18-10(2)3)14-8-17-9-20(14)12-6-7-12/h8-10,12,15,18H,5-7H2,1-4H3.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
N-[(3-cyclopropylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 3.63, 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)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 66141042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).