1-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-1-amine

C13H22N2S — CID 64917236

IUPAC1-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)(c1nc(C)cs1)C1CC1
InChIInChI=1S/C13H22N2S/c1-4-8-14-13(5-2,11-6-7-11)12-15-10(3)9-16-12/h9,11,14H,4-8H2,1-3H3
InChIKeyBBYKCDMNSRBCOZ-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.47
Rot. Bonds6

About 1-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-1-amine

1-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-1-amine (PubChem CID 64917236) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-1-amine
PubChem CID64917236
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)(c1nc(C)cs1)C1CC1
InChIInChI=1S/C13H22N2S/c1-4-8-14-13(5-2,11-6-7-11)12-15-10(3)9-16-12/h9,11,14H,4-8H2,1-3H3
InChIKeyBBYKCDMNSRBCOZ-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 113490150
3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine
CID 63951458
1-cyclobutyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 130703480
3-methyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine
CID 61332999
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopropyl-N-methylpropan-1-amine
CID 64918893
5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine
CID 61330642
dicyclopropyl-(4-methyl-1,3-thiazol-2-yl)methanol
CID 170068193
1-cyclopropyl-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 64918687
(2R)-2-(4-methyl-1,3-thiazol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]butan-2-amine
CID 99777451
N-[1-cyclopentyl-1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanamine
CID 55096963
1-(2-methylcyclopropyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 130698574
3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol
CID 95903874

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-1-amine (CID 64917236) is 1-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-1-amine is CCCNC(CC)(c1nc(C)cs1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-1-amine?
The InChIKey is BBYKCDMNSRBCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-4-8-14-13(5-2,11-6-7-11)12-15-10(3)9-16-12/h9,11,14H,4-8H2,1-3H3.
What are the key properties of 1-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-1-amine?
1-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 64917236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).