N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-cyclopropyl-N-methylethanamine

C10H15ClN2S — CID 79765083

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-cyclopropyl-N-methylethanamine
SMILESCC(C1CC1)N(C)Cc1cnc(Cl)s1
InChIInChI=1S/C10H15ClN2S/c1-7(8-3-4-8)13(2)6-9-5-12-10(11)14-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyDPLWUCMGWLTQSS-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.03
Rot. Bonds4

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-cyclopropyl-N-methylethanamine

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-cyclopropyl-N-methylethanamine (PubChem CID 79765083) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-cyclopropyl-N-methylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-cyclopropyl-N-methylethanamine
PubChem CID79765083
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-cyclopropyl-N-methylethanamine
SMILESCC(C1CC1)N(C)Cc1cnc(Cl)s1
InChIInChI=1S/C10H15ClN2S/c1-7(8-3-4-8)13(2)6-9-5-12-10(11)14-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyDPLWUCMGWLTQSS-UHFFFAOYSA-N
XLogP3.03
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-cyclopropyl-N-methylethanamine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-cyclopropyl-N-methylethanamine (CID 79765083) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-cyclopropyl-N-methylethanamine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-cyclopropyl-N-methylethanamine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-cyclopropyl-N-methylethanamine is CC(C1CC1)N(C)Cc1cnc(Cl)s1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-cyclopropyl-N-methylethanamine?
The InChIKey is DPLWUCMGWLTQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-7(8-3-4-8)13(2)6-9-5-12-10(11)14-9/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-cyclopropyl-N-methylethanamine?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-cyclopropyl-N-methylethanamine has a molecular weight of 230.76 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-cyclopropyl-N-methylethanamine is sourced from PubChem (CID 79765083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).