2,2-dimethyl-N'-propyl-N'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine

C16H25N3S2 — CID 79665269

IUPAC2,2-dimethyl-N'-propyl-N'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
SMILESCCCN(Cc1csc(-c2ccsc2)n1)CC(C)(C)CN
InChIInChI=1S/C16H25N3S2/c1-4-6-19(12-16(2,3)11-17)8-14-10-21-15(18-14)13-5-7-20-9-13/h5,7,9-10H,4,6,8,11-12,17H2,1-3H3
InChIKeyUTXHLIPIFXWXAX-UHFFFAOYSA-N
MW323.53 g/mol
LogP4.07
Rot. Bonds8

About 2,2-dimethyl-N'-propyl-N'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine

2,2-dimethyl-N'-propyl-N'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine (PubChem CID 79665269) has the molecular formula C16H25N3S2 and a molecular weight of 323.53 g/mol. Its IUPAC name is 2,2-dimethyl-N'-propyl-N'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-propyl-N'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
PubChem CID79665269
Molecular FormulaC16H25N3S2
Molecular Weight323.53 g/mol
Exact Mass323.15
IUPAC Name2,2-dimethyl-N'-propyl-N'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
SMILESCCCN(Cc1csc(-c2ccsc2)n1)CC(C)(C)CN
InChIInChI=1S/C16H25N3S2/c1-4-6-19(12-16(2,3)11-17)8-14-10-21-15(18-14)13-5-7-20-9-13/h5,7,9-10H,4,6,8,11-12,17H2,1-3H3
InChIKeyUTXHLIPIFXWXAX-UHFFFAOYSA-N
XLogP4.07
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N'-propyl-N'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine with MolForge

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Related Compounds

2,2-dimethyl-N'-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 79661265
N'-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79662014
4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole
CID 81222713
2,2-dimethyl-N'-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 79668381
N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79668037
N-ethyl-2-[ethyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 8683972
N'-[(6-methoxy-2-pyridinyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661676
2,2-dimethyl-N'-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79661594
N-(4-acetamidophenyl)-2-[ethyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 26583201
2-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115573430
4-propyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline
CID 112796910
2,2-dimethyl-N'-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-N'-propylpropane-1,3-diamine
CID 79665478

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-propyl-N'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-propyl-N'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine (CID 79665269) is 2,2-dimethyl-N'-propyl-N'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-propyl-N'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-propyl-N'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine is CCCN(Cc1csc(-c2ccsc2)n1)CC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-N'-propyl-N'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine?
The InChIKey is UTXHLIPIFXWXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S2/c1-4-6-19(12-16(2,3)11-17)8-14-10-21-15(18-14)13-5-7-20-9-13/h5,7,9-10H,4,6,8,11-12,17H2,1-3H3.
What are the key properties of 2,2-dimethyl-N'-propyl-N'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine?
2,2-dimethyl-N'-propyl-N'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine has a molecular weight of 323.53 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-propyl-N'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 79665269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).