N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine

C10H19N3S — CID 63283757

IUPACN'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine
SMILESCCCNCCNCc1scnc1C
InChIInChI=1S/C10H19N3S/c1-3-4-11-5-6-12-7-10-9(2)13-8-14-10/h8,11-12H,3-7H2,1-2H3
InChIKeySWTDIGWDGMMYQF-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.54
Rot. Bonds7

About N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine

N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine (PubChem CID 63283757) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine
PubChem CID63283757
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine
SMILESCCCNCCNCc1scnc1C
InChIInChI=1S/C10H19N3S/c1-3-4-11-5-6-12-7-10-9(2)13-8-14-10/h8,11-12H,3-7H2,1-2H3
InChIKeySWTDIGWDGMMYQF-UHFFFAOYSA-N
XLogP1.54
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N'-propylethane-1,2-diamine
CID 115671365
2-tert-butylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115653284
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea
CID 115612251
2-ethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 79814122
5-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 115652998
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
CID 62528685
3-cyclopropyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115654281
5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpentan-1-amine
CID 55077695
2-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80829432
2-(2-methylpropylsulfanyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115768977
2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl carbamate
CID 83202397
2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 79032805

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine?
The IUPAC name of N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine (CID 63283757) is N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine?
The canonical SMILES for N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine is CCCNCCNCc1scnc1C.
What is the InChIKey of N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine?
The InChIKey is SWTDIGWDGMMYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-3-4-11-5-6-12-7-10-9(2)13-8-14-10/h8,11-12H,3-7H2,1-2H3.
What are the key properties of N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine?
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine has a molecular weight of 213.35 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine is sourced from PubChem (CID 63283757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).