4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3H-1,3-thiazol-2-one

C14H15ClN2OS — CID 106380269

IUPAC4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC(c2ccc(Cl)cc2)C2CC2)cs1
InChIInChI=1S/C14H15ClN2OS/c15-11-5-3-10(4-6-11)13(9-1-2-9)16-7-12-8-19-14(18)17-12/h3-6,8-9,13,16H,1-2,7H2,(H,17,18)
InChIKeyWQMQYDURZDQYMQ-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.33
Rot. Bonds5

About 4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3H-1,3-thiazol-2-one

4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380269) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380269
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC(c2ccc(Cl)cc2)C2CC2)cs1
InChIInChI=1S/C14H15ClN2OS/c15-11-5-3-10(4-6-11)13(9-1-2-9)16-7-12-8-19-14(18)17-12/h3-6,8-9,13,16H,1-2,7H2,(H,17,18)
InChIKeyWQMQYDURZDQYMQ-UHFFFAOYSA-N
XLogP3.33
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(dicyclopropylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379744
4-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380194
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine
CID 43221853
N-[(3-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine
CID 78974964
N-[(4-chlorophenyl)-cyclopropylmethyl]-3-methylsulfinylpropan-1-amine
CID 115898470
N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine
CID 60658432
2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide
CID 43226371
1-(4-chlorophenyl)-1-cyclopropyl-N-[(3-methylphenyl)methyl]methanamine
CID 43221859
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine
CID 63450392
N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 65424593
4-[[1-(2,5-difluorophenyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380489
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79552053

Frequently Asked Questions

What is the IUPAC name of 4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106380269) is 4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC(c2ccc(Cl)cc2)C2CC2)cs1.
What is the InChIKey of 4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is WQMQYDURZDQYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c15-11-5-3-10(4-6-11)13(9-1-2-9)16-7-12-8-19-14(18)17-12/h3-6,8-9,13,16H,1-2,7H2,(H,17,18).
What are the key properties of 4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 294.81 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).