1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]propan-2-amine

C13H16N4S — CID 115334462

IUPAC1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]propan-2-amine
SMILESCC(N)Cc1cccn1Cc1cn2ccsc2n1
InChIInChI=1S/C13H16N4S/c1-10(14)7-12-3-2-4-16(12)8-11-9-17-5-6-18-13(17)15-11/h2-6,9-10H,7-8,14H2,1H3
InChIKeyWMWCGNPKEMNVTI-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.14
Rot. Bonds4

About 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]propan-2-amine

1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]propan-2-amine (PubChem CID 115334462) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]propan-2-amine
PubChem CID115334462
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]propan-2-amine
SMILESCC(N)Cc1cccn1Cc1cn2ccsc2n1
InChIInChI=1S/C13H16N4S/c1-10(14)7-12-3-2-4-16(12)8-11-9-17-5-6-18-13(17)15-11/h2-6,9-10H,7-8,14H2,1H3
InChIKeyWMWCGNPKEMNVTI-UHFFFAOYSA-N
XLogP2.14
TPSA48.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]methyl]propan-2-amine
CID 115332676
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-amine
CID 115333412
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 115333398
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one
CID 116556049
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanylpropan-2-amine
CID 115333704
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]butan-2-amine
CID 115334464
6-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334565
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrimidin-2-ylethanamine
CID 115333425
6-[(2-methylimidazol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 78918699
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)propan-2-amine
CID 115335464
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole
CID 115335190

Frequently Asked Questions

What is the IUPAC name of 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]propan-2-amine?
The IUPAC name of 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]propan-2-amine (CID 115334462) is 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]propan-2-amine?
The canonical SMILES for 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]propan-2-amine is CC(N)Cc1cccn1Cc1cn2ccsc2n1.
What is the InChIKey of 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]propan-2-amine?
The InChIKey is WMWCGNPKEMNVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-10(14)7-12-3-2-4-16(12)8-11-9-17-5-6-18-13(17)15-11/h2-6,9-10H,7-8,14H2,1H3.
What are the key properties of 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]propan-2-amine?
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]propan-2-amine has a molecular weight of 260.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]propan-2-amine is sourced from PubChem (CID 115334462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).