5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine

C16H25N3S2 — CID 79380668

IUPAC5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(Cc2cccs2)C(C)C)nc1C(C)C
InChIInChI=1S/C16H25N3S2/c1-11(2)15-14(9-17-5)21-16(18-15)19(12(3)4)10-13-7-6-8-20-13/h6-8,11-12,17H,9-10H2,1-5H3
InChIKeyOYVGTFKQGDBWFQ-UHFFFAOYSA-N
MW323.53 g/mol
LogP4.46
Rot. Bonds7

About 5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine

5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 79380668) has the molecular formula C16H25N3S2 and a molecular weight of 323.53 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID79380668
Molecular FormulaC16H25N3S2
Molecular Weight323.53 g/mol
Exact Mass323.15
IUPAC Name5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(Cc2cccs2)C(C)C)nc1C(C)C
InChIInChI=1S/C16H25N3S2/c1-11(2)15-14(9-17-5)21-16(18-15)19(12(3)4)10-13-7-6-8-20-13/h6-8,11-12,17H,9-10H2,1-5H3
InChIKeyOYVGTFKQGDBWFQ-UHFFFAOYSA-N
XLogP4.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N,4-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 79393291
4-propan-2-yl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 79396811
6-(methylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazin-2-amine
CID 66451437
4-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62765983
N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 107556485
N,4-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79494589
4-tert-butyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 63512891
5-bromo-2-N-methyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80809500
2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine
CID 54946553
methyl 3-[2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040201
2-N,6-dimethyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80809499
5-fluoro-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808330

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine (CID 79380668) is 5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine is CNCc1sc(N(Cc2cccs2)C(C)C)nc1C(C)C.
What is the InChIKey of 5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is OYVGTFKQGDBWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S2/c1-11(2)15-14(9-17-5)21-16(18-15)19(12(3)4)10-13-7-6-8-20-13/h6-8,11-12,17H,9-10H2,1-5H3.
What are the key properties of 5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine?
5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 323.53 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79380668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).