1-[(4-chlorophenyl)methoxy]-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol

C16H21ClN2O2S — CID 110908470

IUPAC1-[(4-chlorophenyl)methoxy]-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
SMILESCc1nc(CN(C)CC(O)COCc2ccc(Cl)cc2)cs1
InChIInChI=1S/C16H21ClN2O2S/c1-12-18-15(11-22-12)7-19(2)8-16(20)10-21-9-13-3-5-14(17)6-4-13/h3-6,11,16,20H,7-10H2,1-2H3
InChIKeyPFBCQVWVJYFBSW-UHFFFAOYSA-N
MW340.88 g/mol
LogP3.11
Rot. Bonds8

About 1-[(4-chlorophenyl)methoxy]-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol

1-[(4-chlorophenyl)methoxy]-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol (PubChem CID 110908470) has the molecular formula C16H21ClN2O2S and a molecular weight of 340.88 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
PubChem CID110908470
Molecular FormulaC16H21ClN2O2S
Molecular Weight340.88 g/mol
Exact Mass340.10
IUPAC Name1-[(4-chlorophenyl)methoxy]-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
SMILESCc1nc(CN(C)CC(O)COCc2ccc(Cl)cc2)cs1
InChIInChI=1S/C16H21ClN2O2S/c1-12-18-15(11-22-12)7-19(2)8-16(20)10-21-9-13-3-5-14(17)6-4-13/h3-6,11,16,20H,7-10H2,1-2H3
InChIKeyPFBCQVWVJYFBSW-UHFFFAOYSA-N
XLogP3.11
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4-chlorophenyl)methoxy]-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol with MolForge

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Related Compounds

1-(1-methoxypropan-2-yloxy)-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
CID 106991963
2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-methylamino]acetonitrile
CID 110929641
3-[(4-chlorophenyl)methyl]-1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109420970
1-(diethylamino)-3-[2-methoxy-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 45169870
1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 111106075
3-[[4-(ethoxymethyl)phenyl]methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 86855090
N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,4-diamine
CID 80544051
1-methoxy-3-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
CID 62016549
5-chloro-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]aniline
CID 62101572
(2S)-1-[(4-tert-butylphenyl)methyl-methylamino]-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 40652164
1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62799150
1-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 111427544

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol (CID 110908470) is 1-[(4-chlorophenyl)methoxy]-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol is Cc1nc(CN(C)CC(O)COCc2ccc(Cl)cc2)cs1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol?
The InChIKey is PFBCQVWVJYFBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2S/c1-12-18-15(11-22-12)7-19(2)8-16(20)10-21-9-13-3-5-14(17)6-4-13/h3-6,11,16,20H,7-10H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol?
1-[(4-chlorophenyl)methoxy]-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol has a molecular weight of 340.88 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 110908470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).