N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-benzothiophen-5-amine

C14H11N3S2 — CID 115331690

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-benzothiophen-5-amine
SMILESc1cc2cc(NCc3cn4ccsc4n3)ccc2s1
InChIInChI=1S/C14H11N3S2/c1-2-13-10(3-5-18-13)7-11(1)15-8-12-9-17-4-6-19-14(17)16-12/h1-7,9,15H,8H2
InChIKeyXYENRYGVPFFDCP-UHFFFAOYSA-N
MW285.40 g/mol
LogP4.22
Rot. Bonds3

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-benzothiophen-5-amine

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-benzothiophen-5-amine (PubChem CID 115331690) has the molecular formula C14H11N3S2 and a molecular weight of 285.40 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-benzothiophen-5-amine
PubChem CID115331690
Molecular FormulaC14H11N3S2
Molecular Weight285.40 g/mol
Exact Mass285.04
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-benzothiophen-5-amine
SMILESc1cc2cc(NCc3cn4ccsc4n3)ccc2s1
InChIInChI=1S/C14H11N3S2/c1-2-13-10(3-5-18-13)7-11(1)15-8-12-9-17-4-6-19-14(17)16-12/h1-7,9,15H,8H2
InChIKeyXYENRYGVPFFDCP-UHFFFAOYSA-N
XLogP4.22
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-benzothiazol-6-amine
CID 107804908
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-3-(trifluoromethyl)aniline
CID 115331578
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxy-3-methylaniline
CID 115331566
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)aniline
CID 115331445
N-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)phenyl]acetamide
CID 115331463
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline
CID 113288748
N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine
CID 43687735
2-bromo-4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)aniline
CID 113288753
4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-iodoaniline
CID 107634891
N-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine
CID 65475860
4-[(1-benzothiophen-5-ylamino)methyl]phenol
CID 43687694
2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 115406811

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-benzothiophen-5-amine?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-benzothiophen-5-amine (CID 115331690) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-benzothiophen-5-amine.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-benzothiophen-5-amine?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-benzothiophen-5-amine is c1cc2cc(NCc3cn4ccsc4n3)ccc2s1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-benzothiophen-5-amine?
The InChIKey is XYENRYGVPFFDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S2/c1-2-13-10(3-5-18-13)7-11(1)15-8-12-9-17-4-6-19-14(17)16-12/h1-7,9,15H,8H2.
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-benzothiophen-5-amine?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-benzothiophen-5-amine has a molecular weight of 285.40 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-benzothiophen-5-amine is sourced from PubChem (CID 115331690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).