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

C14H18N4S — CID 115332676

IUPACN-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cccn1Cc1cn2ccsc2n1
InChIInChI=1S/C14H18N4S/c1-11(2)15-8-13-4-3-5-17(13)9-12-10-18-6-7-19-14(18)16-12/h3-7,10-11,15H,8-9H2,1-2H3
InChIKeyDHKAACAFAYZKSV-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.74
Rot. Bonds5

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

N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]methyl]propan-2-amine (PubChem CID 115332676) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]methyl]propan-2-amine
PubChem CID115332676
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC NameN-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cccn1Cc1cn2ccsc2n1
InChIInChI=1S/C14H18N4S/c1-11(2)15-8-13-4-3-5-17(13)9-12-10-18-6-7-19-14(18)16-12/h3-7,10-11,15H,8-9H2,1-2H3
InChIKeyDHKAACAFAYZKSV-UHFFFAOYSA-N
XLogP2.74
TPSA34.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]propan-2-amine
CID 115334462
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine
CID 81333805
4-imidazo[2,1-b][1,3]thiazol-6-yl-N-propan-2-ylbutan-1-amine
CID 115334708
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine
CID 78925544
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
(1S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 115331752
(1R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-pyridin-2-ylethanamine
CID 115331781
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybutan-2-amine
CID 115713221
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-propan-2-ylacetamide
CID 115278968
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-1-ol
CID 115331507
4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine
CID 83187591

Frequently Asked Questions

What is the IUPAC name of N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]methyl]propan-2-amine (CID 115332676) is N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]methyl]propan-2-amine is CC(C)NCc1cccn1Cc1cn2ccsc2n1.
What is the InChIKey of N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]methyl]propan-2-amine?
The InChIKey is DHKAACAFAYZKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-11(2)15-8-13-4-3-5-17(13)9-12-10-18-6-7-19-14(18)16-12/h3-7,10-11,15H,8-9H2,1-2H3.
What are the key properties of N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]methyl]propan-2-amine?
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]methyl]propan-2-amine has a molecular weight of 274.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 115332676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).