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

C14H16N6S — CID 103364597

IUPAC5-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCn1cc(CCNc2snc(N)c2-c2cccnc2)cn1
InChIInChI=1S/C14H16N6S/c1-20-9-10(7-18-20)4-6-17-14-12(13(15)19-21-14)11-3-2-5-16-8-11/h2-3,5,7-9,17H,4,6H2,1H3,(H2,15,19)
InChIKeyATMGHNFAMBUBDR-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.18
Rot. Bonds5

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

5-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (PubChem CID 103364597) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 5-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
PubChem CID103364597
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name5-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCn1cc(CCNc2snc(N)c2-c2cccnc2)cn1
InChIInChI=1S/C14H16N6S/c1-20-9-10(7-18-20)4-6-17-14-12(13(15)19-21-14)11-3-2-5-16-8-11/h2-3,5,7-9,17H,4,6H2,1H3,(H2,15,19)
InChIKeyATMGHNFAMBUBDR-UHFFFAOYSA-N
XLogP2.18
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine with MolForge

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Related Compounds

4-pyridin-3-yl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103364167
5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361622
4-pyridin-3-yl-5-N-(thian-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103365325
5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 106044435
5-[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]pentan-1-ol
CID 107324546
5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103363370
5-N-(2-cyclopentyloxyethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361700
5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103359144
3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 104540597
5-N-[(4-methylmorpholin-2-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103359116
5-N-(1-ethylcyclobutyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103365334
4-pyridin-3-yl-5-N-(thiolan-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103364491

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (CID 103364597) is 5-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is Cn1cc(CCNc2snc(N)c2-c2cccnc2)cn1.
What is the InChIKey of 5-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The InChIKey is ATMGHNFAMBUBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-20-9-10(7-18-20)4-6-17-14-12(13(15)19-21-14)11-3-2-5-16-8-11/h2-3,5,7-9,17H,4,6H2,1H3,(H2,15,19).
What are the key properties of 5-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
5-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine has a molecular weight of 300.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).