N-methyl-N-(pyridin-3-ylmethyl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine

C19H21N3S — CID 18967842

IUPACN-methyl-N-(pyridin-3-ylmethyl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1cc(C)c(-c2csc(N(C)Cc3cccnc3)n2)c(C)c1
InChIInChI=1S/C19H21N3S/c1-13-8-14(2)18(15(3)9-13)17-12-23-19(21-17)22(4)11-16-6-5-7-20-10-16/h5-10,12H,11H2,1-4H3
InChIKeyKQYCUFSCTQWWLA-UHFFFAOYSA-N
MW323.46 g/mol
LogP4.77
Rot. Bonds4

About N-methyl-N-(pyridin-3-ylmethyl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine

N-methyl-N-(pyridin-3-ylmethyl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine (PubChem CID 18967842) has the molecular formula C19H21N3S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-methyl-N-(pyridin-3-ylmethyl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(pyridin-3-ylmethyl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
PubChem CID18967842
Molecular FormulaC19H21N3S
Molecular Weight323.46 g/mol
Exact Mass323.15
IUPAC NameN-methyl-N-(pyridin-3-ylmethyl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1cc(C)c(-c2csc(N(C)Cc3cccnc3)n2)c(C)c1
InChIInChI=1S/C19H21N3S/c1-13-8-14(2)18(15(3)9-13)17-12-23-19(21-17)22(4)11-16-6-5-7-20-10-16/h5-10,12H,11H2,1-4H3
InChIKeyKQYCUFSCTQWWLA-UHFFFAOYSA-N
XLogP4.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(pyridin-3-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569290
N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 78845350
N-methyl-N-(pyridin-3-ylmethyl)thiophen-2-amine
CID 154729661
2-N-methyl-2-N-(pyridin-3-ylmethyl)-1,3-thiazole-2,5-diamine
CID 102767637
but-2-enedioic acid;N,N-dimethyl-N'-(pyridin-3-ylmethyl)-N'-[4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl]ethane-1,2-diamine
CID 70131064
[4,6-dimethyl-2-[methyl(pyridin-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 61256043
2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine
CID 66278201
2-[methyl(pyridin-3-ylmethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79393553
3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 102750389
5-N-methyl-5-N-(pyridin-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103360517
5-N-methyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533006
CID 174532487
CID 174532487

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-3-ylmethyl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-N-(pyridin-3-ylmethyl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine (CID 18967842) is N-methyl-N-(pyridin-3-ylmethyl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-N-(pyridin-3-ylmethyl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-N-(pyridin-3-ylmethyl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine is Cc1cc(C)c(-c2csc(N(C)Cc3cccnc3)n2)c(C)c1.
What is the InChIKey of N-methyl-N-(pyridin-3-ylmethyl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is KQYCUFSCTQWWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-13-8-14(2)18(15(3)9-13)17-12-23-19(21-17)22(4)11-16-6-5-7-20-10-16/h5-10,12H,11H2,1-4H3.
What are the key properties of N-methyl-N-(pyridin-3-ylmethyl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
N-methyl-N-(pyridin-3-ylmethyl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 323.46 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyridin-3-ylmethyl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 18967842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).