4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazol-2-amine

C11H18ClN3S — CID 114516015

IUPAC4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazol-2-amine
SMILESCN1CCC(CCNc2nc(Cl)cs2)CC1
InChIInChI=1S/C11H18ClN3S/c1-15-6-3-9(4-7-15)2-5-13-11-14-10(12)8-16-11/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyOTDUBVQLBMPSBM-UHFFFAOYSA-N
MW259.81 g/mol
LogP2.94
Rot. Bonds4

About 4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazol-2-amine

4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 114516015) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is 4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID114516015
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC Name4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazol-2-amine
SMILESCN1CCC(CCNc2nc(Cl)cs2)CC1
InChIInChI=1S/C11H18ClN3S/c1-15-6-3-9(4-7-15)2-5-13-11-14-10(12)8-16-11/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyOTDUBVQLBMPSBM-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-cyclopropylethyl)-1,3-thiazol-2-amine
CID 83153628
4-chloro-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine
CID 83156155
4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine
CID 83153002
4-chloro-N-(4-methylpiperazin-1-yl)-1,3-thiazol-2-amine
CID 83152797
3-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-amine
CID 114516461
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305198
4-chloro-N-(cyclopentylmethyl)-1,3-thiazol-2-amine
CID 83152879
4-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 83156478
6-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-2-amine
CID 114516288
N-(4-chloro-1,3-thiazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 83153379
6-chloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 114516972
5-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridin-2-amine
CID 114515987

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazol-2-amine (CID 114516015) is 4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazol-2-amine is CN1CCC(CCNc2nc(Cl)cs2)CC1.
What is the InChIKey of 4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is OTDUBVQLBMPSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3S/c1-15-6-3-9(4-7-15)2-5-13-11-14-10(12)8-16-11/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of 4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazol-2-amine?
4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 259.81 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 114516015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).