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

C13H18N4S — CID 66161902

IUPACN-[[2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(-c2cncn2C2CC2)s1
InChIInChI=1S/C13H18N4S/c1-9(2)15-5-11-6-16-13(18-11)12-7-14-8-17(12)10-3-4-10/h6-10,15H,3-5H2,1-2H3
InChIKeyDADLTMLFRQNQGG-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.84
Rot. Bonds5

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

N-[[2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 66161902) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[[2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID66161902
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-[[2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(-c2cncn2C2CC2)s1
InChIInChI=1S/C13H18N4S/c1-9(2)15-5-11-6-16-13(18-11)12-7-14-8-17(12)10-3-4-10/h6-10,15H,3-5H2,1-2H3
InChIKeyDADLTMLFRQNQGG-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine
CID 66164684
N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 61281155
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 64984724
N-[(2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 63986645
(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405662
N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 117192655
N-[[2-(5-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 81313265
N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 107504208
N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 55114053
N-[[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62751801
N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]propan-2-amine
CID 66152227
N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62888907

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 66161902) is N-[[2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)NCc1cnc(-c2cncn2C2CC2)s1.
What is the InChIKey of N-[[2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is DADLTMLFRQNQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-9(2)15-5-11-6-16-13(18-11)12-7-14-8-17(12)10-3-4-10/h6-10,15H,3-5H2,1-2H3.
What are the key properties of N-[[2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 262.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 66161902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).