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

C16H32N4S — CID 62766866

IUPACN'-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1nc(C)c(CNC(C)(C)C)s1
InChIInChI=1S/C16H32N4S/c1-8-9-20(11-10-19(6)7)15-18-13(2)14(21-15)12-17-16(3,4)5/h17H,8-12H2,1-7H3
InChIKeyZAUQMJZKSHDBEO-UHFFFAOYSA-N
MW312.53 g/mol
LogP3.12
Rot. Bonds8

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

N'-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 62766866) has the molecular formula C16H32N4S and a molecular weight of 312.53 g/mol. Its IUPAC name is N'-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID62766866
Molecular FormulaC16H32N4S
Molecular Weight312.53 g/mol
Exact Mass312.23
IUPAC NameN'-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1nc(C)c(CNC(C)(C)C)s1
InChIInChI=1S/C16H32N4S/c1-8-9-20(11-10-19(6)7)15-18-13(2)14(21-15)12-17-16(3,4)5/h17H,8-12H2,1-7H3
InChIKeyZAUQMJZKSHDBEO-UHFFFAOYSA-N
XLogP3.12
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-N'-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine
CID 62766864
N,N-dimethyl-N'-[4-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine
CID 62766692
4-methyl-5-(methylaminomethyl)-N,N-dipropyl-1,3-thiazol-2-amine
CID 62765690
5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767600
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 62768606
5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62768729
N,N-dimethyl-N'-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine
CID 62767038
5-[(tert-butylamino)methyl]-N-cyclohexyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62763955
4-methyl-N-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768369
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 63026393
5-[(tert-butylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine
CID 62765856
N-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116777926

Frequently Asked Questions

What is the IUPAC name of N'-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 62766866) is N'-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)c1nc(C)c(CNC(C)(C)C)s1.
What is the InChIKey of N'-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is ZAUQMJZKSHDBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4S/c1-8-9-20(11-10-19(6)7)15-18-13(2)14(21-15)12-17-16(3,4)5/h17H,8-12H2,1-7H3.
What are the key properties of N'-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 312.53 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62766866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).