1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutane-1,2-diamine

C13H19N3S2 — CID 55021873

IUPAC1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutane-1,2-diamine
SMILESCCC(N)C(c1cccs1)N(C)Cc1cscn1
InChIInChI=1S/C13H19N3S2/c1-3-11(14)13(12-5-4-6-18-12)16(2)7-10-8-17-9-15-10/h4-6,8-9,11,13H,3,7,14H2,1-2H3
InChIKeyIDGIMFQFJRUYOI-UHFFFAOYSA-N
MW281.45 g/mol
LogP3.12
Rot. Bonds6

About 1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutane-1,2-diamine

1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutane-1,2-diamine (PubChem CID 55021873) has the molecular formula C13H19N3S2 and a molecular weight of 281.45 g/mol. Its IUPAC name is 1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutane-1,2-diamine
PubChem CID55021873
Molecular FormulaC13H19N3S2
Molecular Weight281.45 g/mol
Exact Mass281.10
IUPAC Name1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutane-1,2-diamine
SMILESCCC(N)C(c1cccs1)N(C)Cc1cscn1
InChIInChI=1S/C13H19N3S2/c1-3-11(14)13(12-5-4-6-18-12)16(2)7-10-8-17-9-15-10/h4-6,8-9,11,13H,3,7,14H2,1-2H3
InChIKeyIDGIMFQFJRUYOI-UHFFFAOYSA-N
XLogP3.12
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 115287084
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-thiophen-2-ylbutane-1,2-diamine
CID 81058853
1-(4-fluorophenyl)-1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine
CID 55014968
2-[(1R)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 103958767
ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate
CID 64662480
2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1-phenylbutan-1-one
CID 62053006
N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 63831315
6-[(1S)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 103937223
1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine
CID 62426470
1-N-[1-(4-chlorophenyl)ethyl]-1-N-methyl-1-thiophen-2-ylbutane-1,2-diamine
CID 62978760
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine
CID 60696751
2-N-methyl-1-N-propan-2-yl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 62426830

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutane-1,2-diamine (CID 55021873) is 1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutane-1,2-diamine is CCC(N)C(c1cccs1)N(C)Cc1cscn1.
What is the InChIKey of 1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutane-1,2-diamine?
The InChIKey is IDGIMFQFJRUYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S2/c1-3-11(14)13(12-5-4-6-18-12)16(2)7-10-8-17-9-15-10/h4-6,8-9,11,13H,3,7,14H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutane-1,2-diamine?
1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutane-1,2-diamine has a molecular weight of 281.45 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutane-1,2-diamine is sourced from PubChem (CID 55021873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).