N-(2-chloro-2-cyclopropylethyl)-1,3-thiazol-2-amine

C8H11ClN2S — CID 65033764

IUPACN-(2-chloro-2-cyclopropylethyl)-1,3-thiazol-2-amine
SMILESClC(CNc1nccs1)C1CC1
InChIInChI=1S/C8H11ClN2S/c9-7(6-1-2-6)5-11-8-10-3-4-12-8/h3-4,6-7H,1-2,5H2,(H,10,11)
InChIKeyRGCDLSFOVHQEJQ-UHFFFAOYSA-N
MW202.71 g/mol
LogP2.57
Rot. Bonds4

About N-(2-chloro-2-cyclopropylethyl)-1,3-thiazol-2-amine

N-(2-chloro-2-cyclopropylethyl)-1,3-thiazol-2-amine (PubChem CID 65033764) has the molecular formula C8H11ClN2S and a molecular weight of 202.71 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)-1,3-thiazol-2-amine
PubChem CID65033764
Molecular FormulaC8H11ClN2S
Molecular Weight202.71 g/mol
Exact Mass202.03
IUPAC NameN-(2-chloro-2-cyclopropylethyl)-1,3-thiazol-2-amine
SMILESClC(CNc1nccs1)C1CC1
InChIInChI=1S/C8H11ClN2S/c9-7(6-1-2-6)5-11-8-10-3-4-12-8/h3-4,6-7H,1-2,5H2,(H,10,11)
InChIKeyRGCDLSFOVHQEJQ-UHFFFAOYSA-N
XLogP2.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 52.57
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

N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride
CID 174942869
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 174942870
N-(3-chloropropyl)-1,3-thiazol-2-amine
CID 65030400
2-Thiazolamine, N-pentyl-
CID 28549710
N-(Cyclopropylmethyl)thiazol-2-amine
CID 29543834
N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 29559482
N-[(2R)-4-methylpentan-2-yl]-1,3-thiazol-2-amine
CID 58965008
N-(4-methylpentyl)-1,3-thiazol-2-amine
CID 60754507
N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine
CID 61794245
N-(2-cyclopropylethyl)-1,3-thiazol-2-amine
CID 65561071
N-(2-piperidin-4-ylethyl)-1,3-thiazol-2-amine
CID 83835094
N-(1,3-thiazol-2-yl)cyclopropanecarbothioamide
CID 85711659

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)-1,3-thiazol-2-amine (CID 65033764) is N-(2-chloro-2-cyclopropylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)-1,3-thiazol-2-amine is ClC(CNc1nccs1)C1CC1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)-1,3-thiazol-2-amine?
The InChIKey is RGCDLSFOVHQEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2S/c9-7(6-1-2-6)5-11-8-10-3-4-12-8/h3-4,6-7H,1-2,5H2,(H,10,11).
What are the key properties of N-(2-chloro-2-cyclopropylethyl)-1,3-thiazol-2-amine?
N-(2-chloro-2-cyclopropylethyl)-1,3-thiazol-2-amine has a molecular weight of 202.71 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 65033764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).