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

C18H18ClN3S — CID 124613569

IUPACN-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1CCN[C@@H](c1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C18H18ClN3S/c1-13-17(23-12-22-13)8-10-21-18(16-7-2-3-9-20-16)14-5-4-6-15(19)11-14/h2-7,9,11-12,18,21H,8,10H2,1H3/t18-/m0/s1
InChIKeyPKCHRUQDEUKPNS-SFHVURJKSA-N
MW343.88 g/mol
LogP4.42
Rot. Bonds6

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

N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 124613569) has the molecular formula C18H18ClN3S and a molecular weight of 343.88 g/mol. Its IUPAC name is N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID124613569
Molecular FormulaC18H18ClN3S
Molecular Weight343.88 g/mol
Exact Mass343.09
IUPAC NameN-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1CCN[C@@H](c1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C18H18ClN3S/c1-13-17(23-12-22-13)8-10-21-18(16-7-2-3-9-20-16)14-5-4-6-15(19)11-14/h2-7,9,11-12,18,21H,8,10H2,1H3/t18-/m0/s1
InChIKeyPKCHRUQDEUKPNS-SFHVURJKSA-N
XLogP4.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(3-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81372103
1-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 55170713
2-(3-chlorophenyl)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 79442661
(1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]-1-pyridin-2-ylmethanamine
CID 97075751
(1R)-1-(3-chlorophenyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylmethanamine
CID 124575331
(1R)-1-(3-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81381393
N-[(3-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63840842
2-(3-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine
CID 55019516
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 63280230
2-[[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-(cyanomethyl)acetamide
CID 96542751
(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81406260
(1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81366506

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 124613569) is N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is Cc1ncsc1CCN[C@@H](c1cccc(Cl)c1)c1ccccn1.
What is the InChIKey of N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is PKCHRUQDEUKPNS-SFHVURJKSA-N. The full InChI is InChI=1S/C18H18ClN3S/c1-13-17(23-12-22-13)8-10-21-18(16-7-2-3-9-20-16)14-5-4-6-15(19)11-14/h2-7,9,11-12,18,21H,8,10H2,1H3/t18-/m0/s1.
What are the key properties of N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 343.88 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 124613569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).