1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine

C14H28N4OS — CID 43665184

IUPAC1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCOc1nc(N(C)C)sc1CNCC(C(C)C)N(C)C
InChIInChI=1S/C14H28N4OS/c1-10(2)11(17(3)4)8-15-9-12-13(19-7)16-14(20-12)18(5)6/h10-11,15H,8-9H2,1-7H3
InChIKeySZHCXGWXHBOMSO-UHFFFAOYSA-N
MW300.47 g/mol
LogP1.89
Rot. Bonds8

About 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine

1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine (PubChem CID 43665184) has the molecular formula C14H28N4OS and a molecular weight of 300.47 g/mol. Its IUPAC name is 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
PubChem CID43665184
Molecular FormulaC14H28N4OS
Molecular Weight300.47 g/mol
Exact Mass300.20
IUPAC Name1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCOc1nc(N(C)C)sc1CNCC(C(C)C)N(C)C
InChIInChI=1S/C14H28N4OS/c1-10(2)11(17(3)4)8-15-9-12-13(19-7)16-14(20-12)18(5)6/h10-11,15H,8-9H2,1-7H3
InChIKeySZHCXGWXHBOMSO-UHFFFAOYSA-N
XLogP1.89
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine (CID 43665184) is 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine is COc1nc(N(C)C)sc1CNCC(C(C)C)N(C)C.
What is the InChIKey of 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The InChIKey is SZHCXGWXHBOMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4OS/c1-10(2)11(17(3)4)8-15-9-12-13(19-7)16-14(20-12)18(5)6/h10-11,15H,8-9H2,1-7H3.
What are the key properties of 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine has a molecular weight of 300.47 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 43665184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).