4-(1H-pyrrol-3-yl)-1,3-thiazole-2,5-diamine

C7H8N4S — CID 82468326

IUPAC4-(1H-pyrrol-3-yl)-1,3-thiazole-2,5-diamine
SMILESNc1nc(-c2cc[nH]c2)c(N)s1
InChIInChI=1S/C7H8N4S/c8-6-5(11-7(9)12-6)4-1-2-10-3-4/h1-3,10H,8H2,(H2,9,11)
InChIKeyAMXTVSWIVYYAPU-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.30
Rot. Bonds1

About 4-(1H-pyrrol-3-yl)-1,3-thiazole-2,5-diamine

4-(1H-pyrrol-3-yl)-1,3-thiazole-2,5-diamine (PubChem CID 82468326) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 4-(1H-pyrrol-3-yl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name4-(1H-pyrrol-3-yl)-1,3-thiazole-2,5-diamine
PubChem CID82468326
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name4-(1H-pyrrol-3-yl)-1,3-thiazole-2,5-diamine
SMILESNc1nc(-c2cc[nH]c2)c(N)s1
InChIInChI=1S/C7H8N4S/c8-6-5(11-7(9)12-6)4-1-2-10-3-4/h1-3,10H,8H2,(H2,9,11)
InChIKeyAMXTVSWIVYYAPU-UHFFFAOYSA-N
XLogP1.30
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(1H-pyrrol-3-yl)-1,3-thiazol-2-amine
CID 83720866
4-(4-phenylphenyl)-1,3-thiazole-2,5-diamine
CID 82342174
4-(1H-pyrrol-3-yl)-1,3-thiazol-2-amine
CID 15327676
5-propan-2-yl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-amine
CID 116832000
2,4-dimethyl-6-(1H-pyrrol-3-yl)pyrimidin-5-amine
CID 82468666
5-phenyl-4-(1H-pyrrol-3-yl)pyrimidin-2-amine
CID 90945303
[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methanamine
CID 82280712
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazole-2,5-diamine
CID 82342225
4,5-dimethyl-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988755
[4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]methanamine
CID 137013301
[5-methyl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-yl]methanamine
CID 82280585
2-piperazin-1-yl-4-(1H-pyrrol-3-yl)-1,3-thiazole-5-carbonitrile
CID 116867260

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrol-3-yl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 4-(1H-pyrrol-3-yl)-1,3-thiazole-2,5-diamine (CID 82468326) is 4-(1H-pyrrol-3-yl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 4-(1H-pyrrol-3-yl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 4-(1H-pyrrol-3-yl)-1,3-thiazole-2,5-diamine is Nc1nc(-c2cc[nH]c2)c(N)s1.
What is the InChIKey of 4-(1H-pyrrol-3-yl)-1,3-thiazole-2,5-diamine?
The InChIKey is AMXTVSWIVYYAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c8-6-5(11-7(9)12-6)4-1-2-10-3-4/h1-3,10H,8H2,(H2,9,11).
What are the key properties of 4-(1H-pyrrol-3-yl)-1,3-thiazole-2,5-diamine?
4-(1H-pyrrol-3-yl)-1,3-thiazole-2,5-diamine has a molecular weight of 180.24 g/mol, XLogP of 1.30, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrol-3-yl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 82468326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).