5-[[(2-chloro-3-pyridinyl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine

C12H15ClN4OS — CID 43690083

IUPAC5-[[(2-chloro-3-pyridinyl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNc1cccnc1Cl
InChIInChI=1S/C12H15ClN4OS/c1-17(2)12-16-11(18-3)9(19-12)7-15-8-5-4-6-14-10(8)13/h4-6,15H,7H2,1-3H3
InChIKeyWSGCRWQQSPULAA-UHFFFAOYSA-N
MW298.80 g/mol
LogP2.88
Rot. Bonds5

About 5-[[(2-chloro-3-pyridinyl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine

5-[[(2-chloro-3-pyridinyl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 43690083) has the molecular formula C12H15ClN4OS and a molecular weight of 298.80 g/mol. Its IUPAC name is 5-[[(2-chloro-3-pyridinyl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[(2-chloro-3-pyridinyl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID43690083
Molecular FormulaC12H15ClN4OS
Molecular Weight298.80 g/mol
Exact Mass298.07
IUPAC Name5-[[(2-chloro-3-pyridinyl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNc1cccnc1Cl
InChIInChI=1S/C12H15ClN4OS/c1-17(2)12-16-11(18-3)9(19-12)7-15-8-5-4-6-14-10(8)13/h4-6,15H,7H2,1-3H3
InChIKeyWSGCRWQQSPULAA-UHFFFAOYSA-N
XLogP2.88
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[[(2-chloro-3-pyridinyl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine with MolForge

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Related Compounds

1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43665272
4-methoxy-N,N-dimethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine
CID 43665108
5-[[(2-fluorophenyl)methylamino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43433376
2-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945684
4-methoxy-N,N-dimethyl-5-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 43749414
4-methoxy-N,N-dimethyl-5-[[(3-methylphenyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 43433391
4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazol-2-amine
CID 79358881
methyl 2-[5-[[(2-chloro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate
CID 82894273
2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]pyridin-3-amine
CID 43782434
4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 79352826
[(2-chloro-3-pyridinyl)amino]methanol;ethane
CID 158340560
5-[[(2-chloro-3-pyridinyl)amino]methyl]-2-methoxybenzonitrile
CID 65340847

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-chloro-3-pyridinyl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[(2-chloro-3-pyridinyl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine (CID 43690083) is 5-[[(2-chloro-3-pyridinyl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[(2-chloro-3-pyridinyl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[(2-chloro-3-pyridinyl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine is COc1nc(N(C)C)sc1CNc1cccnc1Cl.
What is the InChIKey of 5-[[(2-chloro-3-pyridinyl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is WSGCRWQQSPULAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4OS/c1-17(2)12-16-11(18-3)9(19-12)7-15-8-5-4-6-14-10(8)13/h4-6,15H,7H2,1-3H3.
What are the key properties of 5-[[(2-chloro-3-pyridinyl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
5-[[(2-chloro-3-pyridinyl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 298.80 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-chloro-3-pyridinyl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 43690083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).