(2R)-N-(1,3-thiazol-4-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine

C13H18N2S2 — CID 124855434

IUPAC(2R)-N-(1,3-thiazol-4-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine
SMILESCC[C@@H](C)N(Cc1ccsc1)Cc1cscn1
InChIInChI=1S/C13H18N2S2/c1-3-11(2)15(6-12-4-5-16-8-12)7-13-9-17-10-14-13/h4-5,8-11H,3,6-7H2,1-2H3/t11-/m1/s1
InChIKeyZAZZZXIEZSANPK-LLVKDONJSA-N
MW266.44 g/mol
LogP4.01
Rot. Bonds6

About (2R)-N-(1,3-thiazol-4-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine

(2R)-N-(1,3-thiazol-4-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine (PubChem CID 124855434) has the molecular formula C13H18N2S2 and a molecular weight of 266.44 g/mol. Its IUPAC name is (2R)-N-(1,3-thiazol-4-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name(2R)-N-(1,3-thiazol-4-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine
PubChem CID124855434
Molecular FormulaC13H18N2S2
Molecular Weight266.44 g/mol
Exact Mass266.09
IUPAC Name(2R)-N-(1,3-thiazol-4-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine
SMILESCC[C@@H](C)N(Cc1ccsc1)Cc1cscn1
InChIInChI=1S/C13H18N2S2/c1-3-11(2)15(6-12-4-5-16-8-12)7-13-9-17-10-14-13/h4-5,8-11H,3,6-7H2,1-2H3/t11-/m1/s1
InChIKeyZAZZZXIEZSANPK-LLVKDONJSA-N
XLogP4.01
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.44
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 50980902
2-[butan-2-yl(1,3-thiazol-4-ylmethyl)amino]acetic acid
CID 60833411
N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 115731927
1-[butan-2-yl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol
CID 42682271
1-[butan-2-yl(thiophen-3-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 46007292
1-[butan-2-yl(thiophen-3-ylmethyl)amino]-3-(4-chlorophenoxy)propan-2-ol
CID 42682273
2-N-methyl-1-N-propan-2-yl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 62426830
1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine
CID 62426470
ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate
CID 64662480
1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutane-1,2-diamine
CID 55021873
5-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 80633966
5-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 62750166

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-thiazol-4-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine?
The IUPAC name of (2R)-N-(1,3-thiazol-4-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine (CID 124855434) is (2R)-N-(1,3-thiazol-4-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine.
What is the SMILES notation for (2R)-N-(1,3-thiazol-4-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine?
The canonical SMILES for (2R)-N-(1,3-thiazol-4-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine is CC[C@@H](C)N(Cc1ccsc1)Cc1cscn1.
What is the InChIKey of (2R)-N-(1,3-thiazol-4-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine?
The InChIKey is ZAZZZXIEZSANPK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-3-11(2)15(6-12-4-5-16-8-12)7-13-9-17-10-14-13/h4-5,8-11H,3,6-7H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-N-(1,3-thiazol-4-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine?
(2R)-N-(1,3-thiazol-4-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine has a molecular weight of 266.44 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-thiazol-4-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 124855434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).