(1R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine

C12H15N3S — CID 28781245

IUPAC(1R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCc1nc(CN[C@H](C)c2ccncc2)cs1
InChIInChI=1S/C12H15N3S/c1-9(11-3-5-13-6-4-11)14-7-12-8-16-10(2)15-12/h3-6,8-9,14H,7H2,1-2H3/t9-/m1/s1
InChIKeySINOELCORFTPDG-SECBINFHSA-N
MW233.34 g/mol
LogP2.70
Rot. Bonds4

About (1R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine

(1R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 28781245) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is (1R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine
PubChem CID28781245
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name(1R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCc1nc(CN[C@H](C)c2ccncc2)cs1
InChIInChI=1S/C12H15N3S/c1-9(11-3-5-13-6-4-11)14-7-12-8-16-10(2)15-12/h3-6,8-9,14H,7H2,1-2H3/t9-/m1/s1
InChIKeySINOELCORFTPDG-SECBINFHSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81409765
(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 97009303
1-(3-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43183544
(1R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410306
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 61281296
N-[3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]acetamide
CID 43210210
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 62321260
(1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781310
3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]benzenesulfonamide
CID 60697901
(1R)-1-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781229
1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760038
1-(4-iodophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777228

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine (CID 28781245) is (1R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine is Cc1nc(CN[C@H](C)c2ccncc2)cs1.
What is the InChIKey of (1R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is SINOELCORFTPDG-SECBINFHSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9(11-3-5-13-6-4-11)14-7-12-8-16-10(2)15-12/h3-6,8-9,14H,7H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
(1R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 233.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 28781245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).