N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-1,3-thiazol-2-amine

C9H9ClN2S2 — CID 83301712

IUPACN-[(5-chlorothiophen-2-yl)methyl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(NCc2ccc(Cl)s2)s1
InChIInChI=1S/C9H9ClN2S2/c1-6-4-11-9(13-6)12-5-7-2-3-8(10)14-7/h2-4H,5H2,1H3,(H,11,12)
InChIKeyVLCRVPKESIQCEC-UHFFFAOYSA-N
MW244.77 g/mol
LogP3.78
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-1,3-thiazol-2-amine

N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 83301712) has the molecular formula C9H9ClN2S2 and a molecular weight of 244.77 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-5-methyl-1,3-thiazol-2-amine
PubChem CID83301712
Molecular FormulaC9H9ClN2S2
Molecular Weight244.77 g/mol
Exact Mass243.99
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(NCc2ccc(Cl)s2)s1
InChIInChI=1S/C9H9ClN2S2/c1-6-4-11-9(13-6)12-5-7-2-3-8(10)14-7/h2-4H,5H2,1H3,(H,11,12)
InChIKeyVLCRVPKESIQCEC-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
CID 104599768
1-(5-chlorothiophen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 115655848
N-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
CID 83063465
N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 115924701
5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 131107697
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridin-3-amine
CID 65485112
[5-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]furan-2-yl]methanol
CID 115912749
6-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridin-3-amine
CID 115925207
3-bromo-2-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridine-2,5-diamine
CID 104506895
5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79771653
N-[(5-chlorothiophen-2-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80708538
2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazole-2,5-diamine
CID 106037262

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-1,3-thiazol-2-amine (CID 83301712) is N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-1,3-thiazol-2-amine is Cc1cnc(NCc2ccc(Cl)s2)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is VLCRVPKESIQCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2S2/c1-6-4-11-9(13-6)12-5-7-2-3-8(10)14-7/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-1,3-thiazol-2-amine?
N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 244.77 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 83301712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).