5-N-(3-methylpentan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine

C14H20N4S — CID 103359578

IUPAC5-N-(3-methylpentan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
SMILESCCC(C)C(C)Nc1snc(N)c1-c1ccncc1
InChIInChI=1S/C14H20N4S/c1-4-9(2)10(3)17-14-12(13(15)18-19-14)11-5-7-16-8-6-11/h5-10,17H,4H2,1-3H3,(H2,15,18)
InChIKeyFROAYKIGUVUROH-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.63
Rot. Bonds5

About 5-N-(3-methylpentan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine

5-N-(3-methylpentan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine (PubChem CID 103359578) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 5-N-(3-methylpentan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-methylpentan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
PubChem CID103359578
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name5-N-(3-methylpentan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
SMILESCCC(C)C(C)Nc1snc(N)c1-c1ccncc1
InChIInChI=1S/C14H20N4S/c1-4-9(2)10(3)17-14-12(13(15)18-19-14)11-5-7-16-8-6-11/h5-10,17H,4H2,1-3H3,(H2,15,18)
InChIKeyFROAYKIGUVUROH-UHFFFAOYSA-N
XLogP3.63
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(1-ethoxypropan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103360282
4-pyridin-4-yl-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103363995
5-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103360020
4-pyridin-4-yl-5-N-(2,3,3-trimethylbutyl)-1,2-thiazole-3,5-diamine
CID 103365005
2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide
CID 103359608
4-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]butan-2-ol
CID 103359777
4-(2-methyl-1,3-thiazol-4-yl)-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103382912
2-[2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]ethoxy]ethanol
CID 103360990
4-pyridin-4-yl-5-N-(1,3-thiazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103365701
2-[3-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]propoxy]ethanol
CID 106311959
3-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol
CID 106174702
5-N-(2-ethylbutyl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103384488

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-methylpentan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(3-methylpentan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine (CID 103359578) is 5-N-(3-methylpentan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(3-methylpentan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(3-methylpentan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine is CCC(C)C(C)Nc1snc(N)c1-c1ccncc1.
What is the InChIKey of 5-N-(3-methylpentan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
The InChIKey is FROAYKIGUVUROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-4-9(2)10(3)17-14-12(13(15)18-19-14)11-5-7-16-8-6-11/h5-10,17H,4H2,1-3H3,(H2,15,18).
What are the key properties of 5-N-(3-methylpentan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
5-N-(3-methylpentan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-methylpentan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).