N-[1-(azepan-2-yl)propan-2-yl]-1,3-thiazol-2-amine

C12H21N3S — CID 79559653

IUPACN-[1-(azepan-2-yl)propan-2-yl]-1,3-thiazol-2-amine
SMILESCC(CC1CCCCCN1)Nc1nccs1
InChIInChI=1S/C12H21N3S/c1-10(15-12-14-7-8-16-12)9-11-5-3-2-4-6-13-11/h7-8,10-11,13H,2-6,9H2,1H3,(H,14,15)
InChIKeyZEVQVIWYKCUJST-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.87
Rot. Bonds4

About N-[1-(azepan-2-yl)propan-2-yl]-1,3-thiazol-2-amine

N-[1-(azepan-2-yl)propan-2-yl]-1,3-thiazol-2-amine (PubChem CID 79559653) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-[1-(azepan-2-yl)propan-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(azepan-2-yl)propan-2-yl]-1,3-thiazol-2-amine
PubChem CID79559653
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-[1-(azepan-2-yl)propan-2-yl]-1,3-thiazol-2-amine
SMILESCC(CC1CCCCCN1)Nc1nccs1
InChIInChI=1S/C12H21N3S/c1-10(15-12-14-7-8-16-12)9-11-5-3-2-4-6-13-11/h7-8,10-11,13H,2-6,9H2,1H3,(H,14,15)
InChIKeyZEVQVIWYKCUJST-UHFFFAOYSA-N
XLogP2.87
TPSA36.95 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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-piperidin-2-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)aniline
CID 79537841
N-(1-piperidin-2-ylpropan-2-yl)cyclohexanamine
CID 79549011
N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline
CID 79553516
1-piperidin-2-yl-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
CID 81405627
5-chloro-N-(1-piperidin-2-ylpropan-2-yl)-1,3-benzothiazol-4-amine
CID 79548676
1-piperidin-2-yl-N-[(1R)-1-pyridin-2-ylethyl]propan-2-amine
CID 81401502
1-piperidin-2-yl-N-[(1S)-1-pyridin-2-ylethyl]propan-2-amine
CID 81402179
N-(1-piperidin-2-ylpropan-2-yl)quinolin-8-amine
CID 79549224
2-[(1S)-1-[[(2R)-piperidin-2-yl]methoxy]ethyl]-1,3-thiazole
CID 97162417
3-fluoro-5-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79537051
2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]-1,3-thiazole
CID 97162415
8-methyl-N-(1-piperidin-2-ylpropan-2-yl)quinolin-5-amine
CID 79537260

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-1,3-thiazol-2-amine (CID 79559653) is N-[1-(azepan-2-yl)propan-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(azepan-2-yl)propan-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(azepan-2-yl)propan-2-yl]-1,3-thiazol-2-amine is CC(CC1CCCCCN1)Nc1nccs1.
What is the InChIKey of N-[1-(azepan-2-yl)propan-2-yl]-1,3-thiazol-2-amine?
The InChIKey is ZEVQVIWYKCUJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10(15-12-14-7-8-16-12)9-11-5-3-2-4-6-13-11/h7-8,10-11,13H,2-6,9H2,1H3,(H,14,15).
What are the key properties of N-[1-(azepan-2-yl)propan-2-yl]-1,3-thiazol-2-amine?
N-[1-(azepan-2-yl)propan-2-yl]-1,3-thiazol-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-2-yl)propan-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79559653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).