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

C15H30N4S — CID 62767038

IUPACN,N-dimethyl-N'-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine
SMILESCCCc1nc(N(CCC)CCN(C)C)sc1CNC
InChIInChI=1S/C15H30N4S/c1-6-8-13-14(12-16-3)20-15(17-13)19(9-7-2)11-10-18(4)5/h16H,6-12H2,1-5H3
InChIKeyXJRJSDZOWGGGEM-UHFFFAOYSA-N
MW298.50 g/mol
LogP2.59
Rot. Bonds10

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

N,N-dimethyl-N'-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine (PubChem CID 62767038) has the molecular formula C15H30N4S and a molecular weight of 298.50 g/mol. Its IUPAC name is N,N-dimethyl-N'-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine
PubChem CID62767038
Molecular FormulaC15H30N4S
Molecular Weight298.50 g/mol
Exact Mass298.22
IUPAC NameN,N-dimethyl-N'-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine
SMILESCCCc1nc(N(CCC)CCN(C)C)sc1CNC
InChIInChI=1S/C15H30N4S/c1-6-8-13-14(12-16-3)20-15(17-13)19(9-7-2)11-10-18(4)5/h16H,6-12H2,1-5H3
InChIKeyXJRJSDZOWGGGEM-UHFFFAOYSA-N
XLogP2.59
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-N,N,4-tripropyl-1,3-thiazol-2-amine
CID 55112998
N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine
CID 62768441
4-methyl-5-(methylaminomethyl)-N,N-dipropyl-1,3-thiazol-2-amine
CID 62765690
N,N,N'-trimethyl-N'-[4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]ethane-1,2-diamine
CID 63727753
N-ethyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 107509684
N-methyl-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)-4-propyl-1,3-thiazol-2-amine
CID 62768269
N-(2-methoxyethyl)-5-(methylaminomethyl)-N-(2-methylpropyl)-4-propyl-1,3-thiazol-2-amine
CID 62769254
N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62769245
5-(ethylaminomethyl)-N,4-dipropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767854
N,N-dimethyl-N'-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine
CID 62766864
N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N,4-dipropyl-1,3-thiazol-2-amine
CID 62766838
5-(aminomethyl)-N-ethyl-N,4-dipropyl-1,3-thiazol-2-amine
CID 62768644

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine (CID 62767038) is N,N-dimethyl-N'-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine is CCCc1nc(N(CCC)CCN(C)C)sc1CNC.
What is the InChIKey of N,N-dimethyl-N'-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine?
The InChIKey is XJRJSDZOWGGGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4S/c1-6-8-13-14(12-16-3)20-15(17-13)19(9-7-2)11-10-18(4)5/h16H,6-12H2,1-5H3.
What are the key properties of N,N-dimethyl-N'-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine?
N,N-dimethyl-N'-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine has a molecular weight of 298.50 g/mol, XLogP of 2.59, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62767038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).