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

C12H14N6S2 — CID 103383828

IUPAC5-N-[(1-methylpyrazol-3-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
SMILESCc1nc(-c2c(N)nsc2NCc2ccn(C)n2)cs1
InChIInChI=1S/C12H14N6S2/c1-7-15-9(6-19-7)10-11(13)17-20-12(10)14-5-8-3-4-18(2)16-8/h3-4,6,14H,5H2,1-2H3,(H2,13,17)
InChIKeyNOFYUZSOMKDJJS-UHFFFAOYSA-N
MW306.42 g/mol
LogP2.50
Rot. Bonds4

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

5-N-[(1-methylpyrazol-3-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103383828) has the molecular formula C12H14N6S2 and a molecular weight of 306.42 g/mol. Its IUPAC name is 5-N-[(1-methylpyrazol-3-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(1-methylpyrazol-3-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
PubChem CID103383828
Molecular FormulaC12H14N6S2
Molecular Weight306.42 g/mol
Exact Mass306.07
IUPAC Name5-N-[(1-methylpyrazol-3-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
SMILESCc1nc(-c2c(N)nsc2NCc2ccn(C)n2)cs1
InChIInChI=1S/C12H14N6S2/c1-7-15-9(6-19-7)10-11(13)17-20-12(10)14-5-8-3-4-18(2)16-8/h3-4,6,14H,5H2,1-2H3,(H2,13,17)
InChIKeyNOFYUZSOMKDJJS-UHFFFAOYSA-N
XLogP2.50
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-methyl-5-N-[(1-methylpyrazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103364929
5-N-[(4-bromothiophen-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103378654
5-N-(3-imidazol-1-ylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382750
3-amino-5-[(1-methylpyrazol-3-yl)methylamino]-1,2-thiazole-4-carbonitrile
CID 103383830
5-N-[2-(1-methylpyrazol-3-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 106107000
5-N-[2-(3-methylbutoxy)ethyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103379335
5-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]pentan-2-ol
CID 106138945
3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-2-hydroxypropanamide
CID 106174670
4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382767
5-N-(1,2-dimethylpiperidin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103383687
4-(2-methyl-1,3-thiazol-4-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103379888
3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-N-propan-2-ylpropanamide
CID 103384097

Frequently Asked Questions

What is the IUPAC name of 5-N-[(1-methylpyrazol-3-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(1-methylpyrazol-3-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine (CID 103383828) is 5-N-[(1-methylpyrazol-3-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(1-methylpyrazol-3-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(1-methylpyrazol-3-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine is Cc1nc(-c2c(N)nsc2NCc2ccn(C)n2)cs1.
What is the InChIKey of 5-N-[(1-methylpyrazol-3-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is NOFYUZSOMKDJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6S2/c1-7-15-9(6-19-7)10-11(13)17-20-12(10)14-5-8-3-4-18(2)16-8/h3-4,6,14H,5H2,1-2H3,(H2,13,17).
What are the key properties of 5-N-[(1-methylpyrazol-3-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine?
5-N-[(1-methylpyrazol-3-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 306.42 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1-methylpyrazol-3-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103383828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).