N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine

C17H15ClN2OS — CID 4227429

IUPACN-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine
SMILESClc1ccc(COc2ccc(CNc3nccs3)cc2)cc1
InChIInChI=1S/C17H15ClN2OS/c18-15-5-1-14(2-6-15)12-21-16-7-3-13(4-8-16)11-20-17-19-9-10-22-17/h1-10H,11-12H2,(H,19,20)
InChIKeyGEPCNQPSZFOMBN-UHFFFAOYSA-N
MW330.84 g/mol
LogP4.99
Rot. Bonds6

About N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine

N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine (PubChem CID 4227429) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine
PubChem CID4227429
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC NameN-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine
SMILESClc1ccc(COc2ccc(CNc3nccs3)cc2)cc1
InChIInChI=1S/C17H15ClN2OS/c18-15-5-1-14(2-6-15)12-21-16-7-3-13(4-8-16)11-20-17-19-9-10-22-17/h1-10H,11-12H2,(H,19,20)
InChIKeyGEPCNQPSZFOMBN-UHFFFAOYSA-N
XLogP4.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-amine
CID 60658715
3,4-dichloro-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 23789762
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6458719
N-[(3-bromo-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 78982895
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290311
6-chloro-N-[[4-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine
CID 171090132
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290745
N-[(4-chlorothiophen-2-yl)methyl]-1,3-thiazol-2-amine
CID 79427709
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 4720086
2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 4721972
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride
CID 17292549
4-chloro-N-[[4-[(4-nitrophenyl)methoxy]phenyl]methyl]aniline
CID 126182001

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine (CID 4227429) is N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine is Clc1ccc(COc2ccc(CNc3nccs3)cc2)cc1.
What is the InChIKey of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine?
The InChIKey is GEPCNQPSZFOMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c18-15-5-1-14(2-6-15)12-21-16-7-3-13(4-8-16)11-20-17-19-9-10-22-17/h1-10H,11-12H2,(H,19,20).
What are the key properties of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine?
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine has a molecular weight of 330.84 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 4227429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).