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

C14H17ClN2O3S — CID 106381101

IUPAC4-[[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC(O)COCc2ccc(Cl)cc2)cs1
InChIInChI=1S/C14H17ClN2O3S/c15-11-3-1-10(2-4-11)7-20-8-13(18)6-16-5-12-9-21-14(19)17-12/h1-4,9,13,16,18H,5-8H2,(H,17,19)
InChIKeyHMWQXCRCNFUCDM-UHFFFAOYSA-N
MW328.82 g/mol
LogP1.76
Rot. Bonds8

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

4-[[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381101) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is 4-[[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381101
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Name4-[[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC(O)COCc2ccc(Cl)cc2)cs1
InChIInChI=1S/C14H17ClN2O3S/c15-11-3-1-10(2-4-11)7-20-8-13(18)6-16-5-12-9-21-14(19)17-12/h1-4,9,13,16,18H,5-8H2,(H,17,19)
InChIKeyHMWQXCRCNFUCDM-UHFFFAOYSA-N
XLogP1.76
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380938
4-[[[(2S)-2,3-dihydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380922
N-[2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]ethyl]methanesulfonamide
CID 60909199
4-[[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380965
3-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-hydroxypropanamide
CID 106174960
1-[(4-chlorophenyl)methoxy]-3-(3-propoxypropylamino)propan-2-ol
CID 82942338
4-[2-[[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]ethyl]benzenesulfonamide
CID 39915403
1-[(4-chlorophenyl)methoxy]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol
CID 106398482
(2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 7024938
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
1-[(4-chlorophenyl)methoxy]-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106400203
1-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride
CID 53313843

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106381101) is 4-[[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCC(O)COCc2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-[[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is HMWQXCRCNFUCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c15-11-3-1-10(2-4-11)7-20-8-13(18)6-16-5-12-9-21-14(19)17-12/h1-4,9,13,16,18H,5-8H2,(H,17,19).
What are the key properties of 4-[[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 328.82 g/mol, XLogP of 1.76, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).