4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine

C9H15ClN2OS — CID 83156097

IUPAC4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine
SMILESCCN(c1nc(Cl)cs1)C(C)COC
InChIInChI=1S/C9H15ClN2OS/c1-4-12(7(2)5-13-3)9-11-8(10)6-14-9/h6-7H,4-5H2,1-3H3
InChIKeyNEXAWVMCSZXVNU-UHFFFAOYSA-N
MW234.75 g/mol
LogP2.66
Rot. Bonds5

About 4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine

4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine (PubChem CID 83156097) has the molecular formula C9H15ClN2OS and a molecular weight of 234.75 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine
PubChem CID83156097
Molecular FormulaC9H15ClN2OS
Molecular Weight234.75 g/mol
Exact Mass234.06
IUPAC Name4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine
SMILESCCN(c1nc(Cl)cs1)C(C)COC
InChIInChI=1S/C9H15ClN2OS/c1-4-12(7(2)5-13-3)9-11-8(10)6-14-9/h6-7H,4-5H2,1-3H3
InChIKeyNEXAWVMCSZXVNU-UHFFFAOYSA-N
XLogP2.66
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.75
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine (CID 83156097) is 4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine is CCN(c1nc(Cl)cs1)C(C)COC.
What is the InChIKey of 4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is NEXAWVMCSZXVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2OS/c1-4-12(7(2)5-13-3)9-11-8(10)6-14-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine?
4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 234.75 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83156097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).