N-(1-cyclopropylpropan-2-yl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine

C13H22N2S — CID 115722264

IUPACN-(1-cyclopropylpropan-2-yl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NC(C)CC1CC1)c1ncc(C)s1
InChIInChI=1S/C13H22N2S/c1-4-12(13-14-8-10(3)16-13)15-9(2)7-11-5-6-11/h8-9,11-12,15H,4-7H2,1-3H3
InChIKeyNPJHKLOOBWNGPZ-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.68
Rot. Bonds6

About N-(1-cyclopropylpropan-2-yl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine

N-(1-cyclopropylpropan-2-yl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 115722264) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID115722264
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-(1-cyclopropylpropan-2-yl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NC(C)CC1CC1)c1ncc(C)s1
InChIInChI=1S/C13H22N2S/c1-4-12(13-14-8-10(3)16-13)15-9(2)7-11-5-6-11/h8-9,11-12,15H,4-7H2,1-3H3
InChIKeyNPJHKLOOBWNGPZ-UHFFFAOYSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]hex-5-en-2-amine
CID 104578195
4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
CID 115688389
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115770002
1-cyclobutyl-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115726794
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentan-2-amine
CID 115726922
1-ethylsulfonyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115901209
N-cyclopropyl-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propanamide
CID 113251345
methyl 1-[1-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylate
CID 75523823
N-(furan-3-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 115641842
3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanenitrile
CID 115679915
4,4,4-trifluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 115726994
cyclohexyl-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559031

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine (CID 115722264) is N-(1-cyclopropylpropan-2-yl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine is CCC(NC(C)CC1CC1)c1ncc(C)s1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is NPJHKLOOBWNGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-4-12(13-14-8-10(3)16-13)15-9(2)7-11-5-6-11/h8-9,11-12,15H,4-7H2,1-3H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine?
N-(1-cyclopropylpropan-2-yl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 115722264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).