N-[(3-chlorocyclopentyl)methyl]-1,3-thiazol-2-amine

C9H13ClN2S — CID 106123958

IUPACN-[(3-chlorocyclopentyl)methyl]-1,3-thiazol-2-amine
SMILESClC1CCC(CNc2nccs2)C1
InChIInChI=1S/C9H13ClN2S/c10-8-2-1-7(5-8)6-12-9-11-3-4-13-9/h3-4,7-8H,1-2,5-6H2,(H,11,12)
InChIKeyFFGOBMGHEKULKZ-UHFFFAOYSA-N
MW216.74 g/mol
LogP2.96
Rot. Bonds3

About N-[(3-chlorocyclopentyl)methyl]-1,3-thiazol-2-amine

N-[(3-chlorocyclopentyl)methyl]-1,3-thiazol-2-amine (PubChem CID 106123958) has the molecular formula C9H13ClN2S and a molecular weight of 216.74 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-1,3-thiazol-2-amine
PubChem CID106123958
Molecular FormulaC9H13ClN2S
Molecular Weight216.74 g/mol
Exact Mass216.05
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-1,3-thiazol-2-amine
SMILESClC1CCC(CNc2nccs2)C1
InChIInChI=1S/C9H13ClN2S/c10-8-2-1-7(5-8)6-12-9-11-3-4-13-9/h3-4,7-8H,1-2,5-6H2,(H,11,12)
InChIKeyFFGOBMGHEKULKZ-UHFFFAOYSA-N
XLogP2.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.74
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[(1,3-thiazol-2-ylamino)methyl]cyclobutan-1-ol
CID 66006565
N-[(3-chlorocyclopentyl)methyl]pyrimidin-2-amine
CID 106124303
N-[(3-chlorocyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine
CID 106124235
N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine
CID 78976841
N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
CID 96996514
N-[(3-chlorocyclopentyl)methyl]-5-iodopyrimidin-2-amine
CID 106123816
2-[3-(1,3-thiazol-2-ylamino)cyclopentyl]acetic acid
CID 130978931
N-[(2,2-difluorocyclopentyl)methyl]-1,3-thiazol-2-amine
CID 131091806
N-(2-chloro-2-cyclopropylethyl)-1,3-thiazol-2-amine
CID 65033764
N-[(3-chlorocyclopentyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 114146588
N-cyclopropyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine
CID 62663409
N-[(3-chlorocyclopentyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106124330

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-1,3-thiazol-2-amine (CID 106123958) is N-[(3-chlorocyclopentyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-1,3-thiazol-2-amine is ClC1CCC(CNc2nccs2)C1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is FFGOBMGHEKULKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2S/c10-8-2-1-7(5-8)6-12-9-11-3-4-13-9/h3-4,7-8H,1-2,5-6H2,(H,11,12).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-1,3-thiazol-2-amine?
N-[(3-chlorocyclopentyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 216.74 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclopentyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 106123958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).