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

C15H30N4S — CID 62766864

IUPACN,N-dimethyl-N'-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1nc(C)c(CNC(C)C)s1
InChIInChI=1S/C15H30N4S/c1-7-8-19(10-9-18(5)6)15-17-13(4)14(20-15)11-16-12(2)3/h12,16H,7-11H2,1-6H3
InChIKeyJCXCPMWYWMCYLF-UHFFFAOYSA-N
MW298.50 g/mol
LogP2.73
Rot. Bonds9

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

N,N-dimethyl-N'-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine (PubChem CID 62766864) has the molecular formula C15H30N4S and a molecular weight of 298.50 g/mol. Its IUPAC name is N,N-dimethyl-N'-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine
PubChem CID62766864
Molecular FormulaC15H30N4S
Molecular Weight298.50 g/mol
Exact Mass298.22
IUPAC NameN,N-dimethyl-N'-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1nc(C)c(CNC(C)C)s1
InChIInChI=1S/C15H30N4S/c1-7-8-19(10-9-18(5)6)15-17-13(4)14(20-15)11-16-12(2)3/h12,16H,7-11H2,1-6H3
InChIKeyJCXCPMWYWMCYLF-UHFFFAOYSA-N
XLogP2.73
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-N'-[4-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine
CID 62766692
N'-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62766866
N,4-dimethyl-N-pentan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62768335
4-methyl-5-(methylaminomethyl)-N,N-dipropyl-1,3-thiazol-2-amine
CID 62765690
N-(2-ethoxyethyl)-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 81068229
N,N,4-trimethyl-5-[(pentan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 115600536
N,N-dimethyl-N'-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine
CID 62767038
N,4-dimethyl-5-[(propan-2-ylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
CID 63208807
N-(2-methoxyethyl)-4-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 82965903
N-(cyclopropylmethyl)-4-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79380658
N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N,4-dipropyl-1,3-thiazol-2-amine
CID 62766838
N,4-dimethyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62767575

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine (CID 62766864) is N,N-dimethyl-N'-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)c1nc(C)c(CNC(C)C)s1.
What is the InChIKey of N,N-dimethyl-N'-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine?
The InChIKey is JCXCPMWYWMCYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4S/c1-7-8-19(10-9-18(5)6)15-17-13(4)14(20-15)11-16-12(2)3/h12,16H,7-11H2,1-6H3.
What are the key properties of N,N-dimethyl-N'-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine?
N,N-dimethyl-N'-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine has a molecular weight of 298.50 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62766864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).