4-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazol-2-amine

C11H18ClN3S — CID 83152888

IUPAC4-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazol-2-amine
SMILESCC(CN1CCCCC1)Nc1nc(Cl)cs1
InChIInChI=1S/C11H18ClN3S/c1-9(7-15-5-3-2-4-6-15)13-11-14-10(12)8-16-11/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyJSEKLUFEOYTSSE-UHFFFAOYSA-N
MW259.81 g/mol
LogP3.08
Rot. Bonds4

About 4-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazol-2-amine

4-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazol-2-amine (PubChem CID 83152888) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is 4-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazol-2-amine
PubChem CID83152888
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC Name4-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazol-2-amine
SMILESCC(CN1CCCCC1)Nc1nc(Cl)cs1
InChIInChI=1S/C11H18ClN3S/c1-9(7-15-5-3-2-4-6-15)13-11-14-10(12)8-16-11/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyJSEKLUFEOYTSSE-UHFFFAOYSA-N
XLogP3.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.81
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-chloro-1,3-thiazol-2-yl)propane-1,2-diamine
CID 83156525
3-ethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65276551
4-chloro-N-piperidin-1-yl-1,3-thiazol-2-amine
CID 83152675
4-chloro-N-(2-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-amine
CID 83152672
6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 79526067
N-(1-piperidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 54937957
3-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid
CID 61477469
2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine
CID 102767910
6-chloro-4-N-methyl-2-N-(1-piperidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80801538
3,6-dichloro-N-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazin-5-amine
CID 81036944
2-(1-piperidin-1-ylpropan-2-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80571509
1-methyl-N-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine
CID 62133475

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazol-2-amine (CID 83152888) is 4-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazol-2-amine is CC(CN1CCCCC1)Nc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is JSEKLUFEOYTSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3S/c1-9(7-15-5-3-2-4-6-15)13-11-14-10(12)8-16-11/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of 4-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazol-2-amine?
4-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 259.81 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83152888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).