N-[(5-chlorothiophen-2-yl)methyl]-4-ethyl-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine

C15H22ClN3S2 — CID 62767520

IUPACN-[(5-chlorothiophen-2-yl)methyl]-4-ethyl-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)Cc2ccc(Cl)s2)nc1CC
InChIInChI=1S/C15H22ClN3S2/c1-4-8-17-9-13-12(5-2)18-15(21-13)19(3)10-11-6-7-14(16)20-11/h6-7,17H,4-5,8-10H2,1-3H3
InChIKeyZIVFIIFJANXTRU-UHFFFAOYSA-N
MW343.95 g/mol
LogP4.56
Rot. Bonds8

About N-[(5-chlorothiophen-2-yl)methyl]-4-ethyl-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine

N-[(5-chlorothiophen-2-yl)methyl]-4-ethyl-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 62767520) has the molecular formula C15H22ClN3S2 and a molecular weight of 343.95 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-4-ethyl-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-4-ethyl-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID62767520
Molecular FormulaC15H22ClN3S2
Molecular Weight343.95 g/mol
Exact Mass343.09
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-4-ethyl-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)Cc2ccc(Cl)s2)nc1CC
InChIInChI=1S/C15H22ClN3S2/c1-4-8-17-9-13-12(5-2)18-15(21-13)19(3)10-11-6-7-14(16)20-11/h6-7,17H,4-5,8-10H2,1-3H3
InChIKeyZIVFIIFJANXTRU-UHFFFAOYSA-N
XLogP4.56
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.95
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766999
N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63725686
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine
CID 62282523
N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63726893
4-ethyl-5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62769365
N,4-diethyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62767058
N,4-diethyl-N-phenyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766568
[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79393645
4-ethyl-N-methyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768109
4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 115987962
N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62767191
4-ethyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62767784

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-ethyl-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-ethyl-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 62767520) is N-[(5-chlorothiophen-2-yl)methyl]-4-ethyl-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-4-ethyl-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-4-ethyl-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCNCc1sc(N(C)Cc2ccc(Cl)s2)nc1CC.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-4-ethyl-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is ZIVFIIFJANXTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3S2/c1-4-8-17-9-13-12(5-2)18-15(21-13)19(3)10-11-6-7-14(16)20-11/h6-7,17H,4-5,8-10H2,1-3H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-4-ethyl-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
N-[(5-chlorothiophen-2-yl)methyl]-4-ethyl-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 343.95 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-4-ethyl-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62767520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).