1-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1,3-diamine

C12H21N3S — CID 79459168

IUPAC1-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1,3-diamine
SMILESCCC(NC1CCCC(N)C1)c1nccs1
InChIInChI=1S/C12H21N3S/c1-2-11(12-14-6-7-16-12)15-10-5-3-4-9(13)8-10/h6-7,9-11,15H,2-5,8,13H2,1H3
InChIKeyZSQVGJXGSQNFSC-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.45
Rot. Bonds4

About 1-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1,3-diamine

1-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1,3-diamine (PubChem CID 79459168) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1,3-diamine
PubChem CID79459168
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name1-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1,3-diamine
SMILESCCC(NC1CCCC(N)C1)c1nccs1
InChIInChI=1S/C12H21N3S/c1-2-11(12-14-6-7-16-12)15-10-5-3-4-9(13)8-10/h6-7,9-11,15H,2-5,8,13H2,1H3
InChIKeyZSQVGJXGSQNFSC-UHFFFAOYSA-N
XLogP2.45
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine
CID 79459169
N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidin-3-amine
CID 79740776
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
2-cyclopentyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 99630332
1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine
CID 79459271
N-[1-(1,3-thiazol-2-yl)propyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364633
1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]piperidin-4-amine
CID 146104294
2-piperidin-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine
CID 79541546
ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)acetate
CID 113373043
2-(cyclopropylmethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119890777
2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815807
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine
CID 102894599

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1,3-diamine (CID 79459168) is 1-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1,3-diamine is CCC(NC1CCCC(N)C1)c1nccs1.
What is the InChIKey of 1-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1,3-diamine?
The InChIKey is ZSQVGJXGSQNFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-2-11(12-14-6-7-16-12)15-10-5-3-4-9(13)8-10/h6-7,9-11,15H,2-5,8,13H2,1H3.
What are the key properties of 1-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1,3-diamine?
1-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1,3-diamine has a molecular weight of 239.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 79459168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).