N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine

C11H12N4S — CID 115686128

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine
SMILESc1cc(CNCc2cn3ccsc3n2)c[nH]1
InChIInChI=1S/C11H12N4S/c1-2-12-5-9(1)6-13-7-10-8-15-3-4-16-11(15)14-10/h1-5,8,12-13H,6-7H2
InChIKeySFFCVZZWXNFVSA-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.01
Rot. Bonds4

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine (PubChem CID 115686128) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine
PubChem CID115686128
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine
SMILESc1cc(CNCc2cn3ccsc3n2)c[nH]1
InChIInChI=1S/C11H12N4S/c1-2-12-5-9(1)6-13-7-10-8-15-3-4-16-11(15)14-10/h1-5,8,12-13H,6-7H2
InChIKeySFFCVZZWXNFVSA-UHFFFAOYSA-N
XLogP2.01
TPSA45.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115278962
3-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]benzonitrile
CID 115279005
1-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 78977028
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 115406811
3-bromo-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine
CID 115334551
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-iodopropan-1-amine
CID 114503614
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
CID 103851404
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[2-(methoxymethyl)phenyl]methanamine
CID 115331529
methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate
CID 115331415
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine (CID 115686128) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine is c1cc(CNCc2cn3ccsc3n2)c[nH]1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine?
The InChIKey is SFFCVZZWXNFVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-2-12-5-9(1)6-13-7-10-8-15-3-4-16-11(15)14-10/h1-5,8,12-13H,6-7H2.
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine has a molecular weight of 232.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine is sourced from PubChem (CID 115686128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).