N-[(3-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine

C14H17BrN2S2 — CID 115380875

IUPACN-[(3-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nc2c(s1)CCC2)c1sccc1Br
InChIInChI=1S/C14H17BrN2S2/c1-2-7-16-12(13-9(15)6-8-18-13)14-17-10-4-3-5-11(10)19-14/h6,8,12,16H,2-5,7H2,1H3
InChIKeySNMADYYNCOGGDC-UHFFFAOYSA-N
MW357.34 g/mol
LogP4.54
Rot. Bonds5

About N-[(3-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine

N-[(3-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine (PubChem CID 115380875) has the molecular formula C14H17BrN2S2 and a molecular weight of 357.34 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine
PubChem CID115380875
Molecular FormulaC14H17BrN2S2
Molecular Weight357.34 g/mol
Exact Mass356.00
IUPAC NameN-[(3-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nc2c(s1)CCC2)c1sccc1Br
InChIInChI=1S/C14H17BrN2S2/c1-2-7-16-12(13-9(15)6-8-18-13)14-17-10-4-3-5-11(10)19-14/h6,8,12,16H,2-5,7H2,1H3
InChIKeySNMADYYNCOGGDC-UHFFFAOYSA-N
XLogP4.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(3-bromothiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-1-amine
CID 115380876
N-[(3-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 115380872
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-methylphenyl)methyl]propan-1-amine
CID 61336158
N-[(5-chloro-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine
CID 114859199
N-[(2,4-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine
CID 61335764
N-[(3-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 115380873
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methylthiophen-2-yl)methyl]propan-2-amine
CID 61347934
N-[(4-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine
CID 61332383
N-[(4-bromophenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 61331218
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methylthiophen-2-yl)methyl]cyclopropanamine
CID 61345182
N-[(3-bromo-5-methylphenyl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 104851374
N-[(3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 80535679

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine (CID 115380875) is N-[(3-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine is CCCNC(c1nc2c(s1)CCC2)c1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine?
The InChIKey is SNMADYYNCOGGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S2/c1-2-7-16-12(13-9(15)6-8-18-13)14-17-10-4-3-5-11(10)19-14/h6,8,12,16H,2-5,7H2,1H3.
What are the key properties of N-[(3-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine?
N-[(3-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine has a molecular weight of 357.34 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 115380875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).