5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine

C14H16N6S — CID 103361622

IUPAC5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCN(Cc1cnn(C)c1)c1snc(N)c1-c1cccnc1
InChIInChI=1S/C14H16N6S/c1-19(8-10-6-17-20(2)9-10)14-12(13(15)18-21-14)11-4-3-5-16-7-11/h3-7,9H,8H2,1-2H3,(H2,15,18)
InChIKeyOBZBNLVUFDLRBD-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.16
Rot. Bonds4

About 5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine

5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (PubChem CID 103361622) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
PubChem CID103361622
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCN(Cc1cnn(C)c1)c1snc(N)c1-c1cccnc1
InChIInChI=1S/C14H16N6S/c1-19(8-10-6-17-20(2)9-10)14-12(13(15)18-21-14)11-4-3-5-16-7-11/h3-7,9H,8H2,1-2H3,(H2,15,18)
InChIKeyOBZBNLVUFDLRBD-UHFFFAOYSA-N
XLogP2.16
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103364597
5-N-[(4-bromothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361301
5-N-(cyclohexylmethyl)-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361808
5-N,5-N-diethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103362105
5-N-methyl-5-N-(3-methylbutan-2-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103360550
ethyl 3-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate
CID 103380609
5-N-cyclopentyl-5-N-ethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103360432
3-amino-N-methyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxamide
CID 103380614
4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine
CID 61438479
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-4-carbothioamide
CID 113269580
3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-1,2-thiazole-4-carbonitrile
CID 103379514
5-N-propan-2-yl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360693

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (CID 103361622) is 5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is CN(Cc1cnn(C)c1)c1snc(N)c1-c1cccnc1.
What is the InChIKey of 5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The InChIKey is OBZBNLVUFDLRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-19(8-10-6-17-20(2)9-10)14-12(13(15)18-21-14)11-4-3-5-16-7-11/h3-7,9H,8H2,1-2H3,(H2,15,18).
What are the key properties of 5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine has a molecular weight of 300.39 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).