N-[[2-(3-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine

C14H16ClN3S — CID 103445265

IUPACN-[[2-(3-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ncccc2Cl)nc1C1CC1
InChIInChI=1S/C14H16ClN3S/c1-2-16-8-11-12(9-5-6-9)18-14(19-11)13-10(15)4-3-7-17-13/h3-4,7,9,16H,2,5-6,8H2,1H3
InChIKeyYUPHICLNABYPNP-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.85
Rot. Bonds5

About N-[[2-(3-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(3-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 103445265) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is N-[[2-(3-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID103445265
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC NameN-[[2-(3-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ncccc2Cl)nc1C1CC1
InChIInChI=1S/C14H16ClN3S/c1-2-16-8-11-12(9-5-6-9)18-14(19-11)13-10(15)4-3-7-17-13/h3-4,7,9,16H,2,5-6,8H2,1H3
InChIKeyYUPHICLNABYPNP-UHFFFAOYSA-N
XLogP3.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 103445265) is N-[[2-(3-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(-c2ncccc2Cl)nc1C1CC1.
What is the InChIKey of N-[[2-(3-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is YUPHICLNABYPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c1-2-16-8-11-12(9-5-6-9)18-14(19-11)13-10(15)4-3-7-17-13/h3-4,7,9,16H,2,5-6,8H2,1H3.
What are the key properties of N-[[2-(3-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(3-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 293.82 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 103445265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).