4-phenyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine

C16H22N4S — CID 103379011

IUPAC4-phenyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine
SMILESCC(CN1CCCC1)Nc1snc(N)c1-c1ccccc1
InChIInChI=1S/C16H22N4S/c1-12(11-20-9-5-6-10-20)18-16-14(15(17)19-21-16)13-7-3-2-4-8-13/h2-4,7-8,12,18H,5-6,9-11H2,1H3,(H2,17,19)
InChIKeyKLQHYGVUJKSESX-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.29
Rot. Bonds5

About 4-phenyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine

4-phenyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103379011) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 4-phenyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-phenyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine
PubChem CID103379011
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name4-phenyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine
SMILESCC(CN1CCCC1)Nc1snc(N)c1-c1ccccc1
InChIInChI=1S/C16H22N4S/c1-12(11-20-9-5-6-10-20)18-16-14(15(17)19-21-16)13-7-3-2-4-8-13/h2-4,7-8,12,18H,5-6,9-11H2,1H3,(H2,17,19)
InChIKeyKLQHYGVUJKSESX-UHFFFAOYSA-N
XLogP3.29
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methylsulfanyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine
CID 103359986
5-N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360050
4-ethylsulfonyl-5-N-(1-piperidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine
CID 103360047
3-methyl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)-1,2-thiazole-4-carboxylic acid
CID 79402857
5-N-(2-ethylbutyl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103384488
5-(azepan-1-yl)-4-phenyl-1,2-thiazol-3-amine
CID 103381127
2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid
CID 62232558
1-[[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]methyl]cyclopentan-1-ol
CID 103378857
5-N-(cyclohexylmethyl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103382843
5-N-(1-ethoxypropan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103360282
5-N-(2-piperidin-1-ylethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103360163
5-N-[4-(dimethylamino)butan-2-yl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103360134

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-phenyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine (CID 103379011) is 4-phenyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-phenyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-phenyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine is CC(CN1CCCC1)Nc1snc(N)c1-c1ccccc1.
What is the InChIKey of 4-phenyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is KLQHYGVUJKSESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-12(11-20-9-5-6-10-20)18-16-14(15(17)19-21-16)13-7-3-2-4-8-13/h2-4,7-8,12,18H,5-6,9-11H2,1H3,(H2,17,19).
What are the key properties of 4-phenyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine?
4-phenyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 302.45 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103379011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).