N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine

C17H21ClN2S — CID 75497121

IUPACN-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1C(C)NC(c1ccc(Cl)cc1)C1CC1C
InChIInChI=1S/C17H21ClN2S/c1-10-8-15(10)16(13-4-6-14(18)7-5-13)20-12(3)17-11(2)19-9-21-17/h4-7,9-10,12,15-16,20H,8H2,1-3H3
InChIKeyXYGUGXAHJXBULH-UHFFFAOYSA-N
MW320.89 g/mol
LogP5.15
Rot. Bonds5

About N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine

N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 75497121) has the molecular formula C17H21ClN2S and a molecular weight of 320.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID75497121
Molecular FormulaC17H21ClN2S
Molecular Weight320.89 g/mol
Exact Mass320.11
IUPAC NameN-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1C(C)NC(c1ccc(Cl)cc1)C1CC1C
InChIInChI=1S/C17H21ClN2S/c1-10-8-15(10)16(13-4-6-14(18)7-5-13)20-12(3)17-11(2)19-9-21-17/h4-7,9-10,12,15-16,20H,8H2,1-3H3
InChIKeyXYGUGXAHJXBULH-UHFFFAOYSA-N
XLogP5.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.89
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43762336
1-(4-methylphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 54863036
(1S)-1-(3-chlorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81366710
N-[1-(1-adamantyl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 43757558
1-(4-fluorophenyl)-2-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 43781500
1-(4-ethoxyphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 43788971
1-(4-chlorophenyl)-1-(2-methylcyclopropyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 84599060
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43756143
2,4,5-trichloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43759104
(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methanamine
CID 99724266
2-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]pyridin-4-amine
CID 80528014
2-chloro-5-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 103936659

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 75497121) is N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine is Cc1ncsc1C(C)NC(c1ccc(Cl)cc1)C1CC1C.
What is the InChIKey of N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is XYGUGXAHJXBULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2S/c1-10-8-15(10)16(13-4-6-14(18)7-5-13)20-12(3)17-11(2)19-9-21-17/h4-7,9-10,12,15-16,20H,8H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 320.89 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 75497121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).