(2S)-N-methyl-1-(4-methyl-2-pyridinyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine

C14H19N3S — CID 124758227

IUPAC(2S)-N-methyl-1-(4-methyl-2-pyridinyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
SMILESCc1ccnc(C[C@H](C)N(C)Cc2nccs2)c1
InChIInChI=1S/C14H19N3S/c1-11-4-5-15-13(8-11)9-12(2)17(3)10-14-16-6-7-18-14/h4-8,12H,9-10H2,1-3H3/t12-/m0/s1
InChIKeyYBDYMBRGXKIZQA-LBPRGKRZSA-N
MW261.39 g/mol
LogP2.91
Rot. Bonds5

About (2S)-N-methyl-1-(4-methyl-2-pyridinyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine

(2S)-N-methyl-1-(4-methyl-2-pyridinyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine (PubChem CID 124758227) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is (2S)-N-methyl-1-(4-methyl-2-pyridinyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-N-methyl-1-(4-methyl-2-pyridinyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
PubChem CID124758227
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name(2S)-N-methyl-1-(4-methyl-2-pyridinyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
SMILESCc1ccnc(C[C@H](C)N(C)Cc2nccs2)c1
InChIInChI=1S/C14H19N3S/c1-11-4-5-15-13(8-11)9-12(2)17(3)10-14-16-6-7-18-14/h4-8,12H,9-10H2,1-3H3/t12-/m0/s1
InChIKeyYBDYMBRGXKIZQA-LBPRGKRZSA-N
XLogP2.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 94606646
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 46993022
(2R)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 124752794
N-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 46997844
1-(1,3-benzothiazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
CID 71923974
4-[methyl-[1-(4-methyl-2-pyridinyl)propan-2-yl]amino]-4-oxobutanoic acid
CID 121496087
(2R)-N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 99943544
(2S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 124754653
(2R)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 95046645
2-[(2S)-2,3-dimethylbutyl]-4-methylpyridine
CID 152828234
(2R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 126441426
(2S)-N-[(3-cyclohexylimidazol-4-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 124749899

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-1-(4-methyl-2-pyridinyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine?
The IUPAC name of (2S)-N-methyl-1-(4-methyl-2-pyridinyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine (CID 124758227) is (2S)-N-methyl-1-(4-methyl-2-pyridinyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine.
What is the SMILES notation for (2S)-N-methyl-1-(4-methyl-2-pyridinyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine?
The canonical SMILES for (2S)-N-methyl-1-(4-methyl-2-pyridinyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine is Cc1ccnc(C[C@H](C)N(C)Cc2nccs2)c1.
What is the InChIKey of (2S)-N-methyl-1-(4-methyl-2-pyridinyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine?
The InChIKey is YBDYMBRGXKIZQA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3S/c1-11-4-5-15-13(8-11)9-12(2)17(3)10-14-16-6-7-18-14/h4-8,12H,9-10H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-N-methyl-1-(4-methyl-2-pyridinyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine?
(2S)-N-methyl-1-(4-methyl-2-pyridinyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine has a molecular weight of 261.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1-(4-methyl-2-pyridinyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 124758227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).