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

C14H20ClN3S2 — CID 62766999

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)Cc2ccc(Cl)s2)nc1C
InChIInChI=1S/C14H20ClN3S2/c1-4-7-16-8-12-10(2)17-14(20-12)18(3)9-11-5-6-13(15)19-11/h5-6,16H,4,7-9H2,1-3H3
InChIKeyGGROULZSOKQZSO-UHFFFAOYSA-N
MW329.92 g/mol
LogP4.30
Rot. Bonds7

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

N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 62766999) has the molecular formula C14H20ClN3S2 and a molecular weight of 329.92 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID62766999
Molecular FormulaC14H20ClN3S2
Molecular Weight329.92 g/mol
Exact Mass329.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)Cc2ccc(Cl)s2)nc1C
InChIInChI=1S/C14H20ClN3S2/c1-4-7-16-8-12-10(2)17-14(20-12)18(3)9-11-5-6-13(15)19-11/h5-6,16H,4,7-9H2,1-3H3
InChIKeyGGROULZSOKQZSO-UHFFFAOYSA-N
XLogP4.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.92
LogP ≤ 54.30
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]-4-ethyl-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62767520
N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62767191
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine
CID 62282523
1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750629
N,4-dimethyl-N-(2-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766679
[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79393645
N,4-dimethyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 55117328
N-ethyl-N-(4-fluorophenyl)-4-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768912
4-N-[(5-chlorothiophen-2-yl)methyl]-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80780316
N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 63234496
N-ethyl-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 62764515
N-cyclohexyl-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62764625

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 62766999) is N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCNCc1sc(N(C)Cc2ccc(Cl)s2)nc1C.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is GGROULZSOKQZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3S2/c1-4-7-16-8-12-10(2)17-14(20-12)18(3)9-11-5-6-13(15)19-11/h5-6,16H,4,7-9H2,1-3H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 329.92 g/mol, XLogP of 4.30, 7 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]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62766999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).