N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethylpropan-2-amine

C9H15ClN2S — CID 79765211

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethylpropan-2-amine
SMILESCCN(Cc1cnc(Cl)s1)C(C)C
InChIInChI=1S/C9H15ClN2S/c1-4-12(7(2)3)6-8-5-11-9(10)13-8/h5,7H,4,6H2,1-3H3
InChIKeyXPJWDIBKVSRDCC-UHFFFAOYSA-N
MW218.75 g/mol
LogP3.03
Rot. Bonds4

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

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethylpropan-2-amine (PubChem CID 79765211) has the molecular formula C9H15ClN2S and a molecular weight of 218.75 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethylpropan-2-amine
PubChem CID79765211
Molecular FormulaC9H15ClN2S
Molecular Weight218.75 g/mol
Exact Mass218.06
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethylpropan-2-amine
SMILESCCN(Cc1cnc(Cl)s1)C(C)C
InChIInChI=1S/C9H15ClN2S/c1-4-12(7(2)3)6-8-5-11-9(10)13-8/h5,7H,4,6H2,1-3H3
InChIKeyXPJWDIBKVSRDCC-UHFFFAOYSA-N
XLogP3.03
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.75
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 66568672
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 79764469
3-[(2-chloro-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propan-1-ol
CID 79764333
1-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79763845
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-cyclopropyl-N-methylethanamine
CID 79765083
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2-difluoro-N-methylethanamine
CID 115681800
2-chloro-5-propyl-1,3-thiazole
CID 56625607
1-N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-N'-ethyl-1-N-methylethene-1,1-diamine
CID 54480537
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 79765216
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylcyclopropanamine
CID 79765082
2-amino-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,3-dimethylbutanamide
CID 77144571
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-N-(2-methylsulfanylethyl)propan-1-amine
CID 59536581

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethylpropan-2-amine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethylpropan-2-amine (CID 79765211) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethylpropan-2-amine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethylpropan-2-amine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethylpropan-2-amine is CCN(Cc1cnc(Cl)s1)C(C)C.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethylpropan-2-amine?
The InChIKey is XPJWDIBKVSRDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2S/c1-4-12(7(2)3)6-8-5-11-9(10)13-8/h5,7H,4,6H2,1-3H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethylpropan-2-amine?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethylpropan-2-amine has a molecular weight of 218.75 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]-N-ethylpropan-2-amine is sourced from PubChem (CID 79765211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).