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

C13H18N4S — CID 114130251

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCC(C)(NCc1cncn1C1CC1)c1nccs1
InChIInChI=1S/C13H18N4S/c1-13(2,12-15-5-6-18-12)16-8-11-7-14-9-17(11)10-3-4-10/h5-7,9-10,16H,3-4,8H2,1-2H3
InChIKeyCDHAKHRFWIPJCP-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.70
Rot. Bonds5

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

N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 114130251) 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-2-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID114130251
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCC(C)(NCc1cncn1C1CC1)c1nccs1
InChIInChI=1S/C13H18N4S/c1-13(2,12-15-5-6-18-12)16-8-11-7-14-9-17(11)10-3-4-10/h5-7,9-10,16H,3-4,8H2,1-2H3
InChIKeyCDHAKHRFWIPJCP-UHFFFAOYSA-N
XLogP2.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 114127097
2-[(3-cyclopropylimidazol-4-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79790960
N-[(3-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-amine
CID 107588333
2-methyl-N-[[3-(3-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146727
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103845069
N-[(3-cyclopropylimidazol-4-yl)methyl]cyclopentanamine
CID 66163863
N-[(4-methyl-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103828799
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 79041997
N-[(5-fluoro-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 113471750
N-[(5-bromo-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103714587
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 66162308
N-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine
CID 66163065

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine (CID 114130251) is N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine is CC(C)(NCc1cncn1C1CC1)c1nccs1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is CDHAKHRFWIPJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-13(2,12-15-5-6-18-12)16-8-11-7-14-9-17(11)10-3-4-10/h5-7,9-10,16H,3-4,8H2,1-2H3.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 262.38 g/mol, XLogP of 2.70, 5 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-2-amine is sourced from PubChem (CID 114130251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).