1-[2-[cyclopropylmethyl(propyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone

C13H20N2OS — CID 62750125

IUPAC1-[2-[cyclopropylmethyl(propyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCCCN(CC1CC1)c1nc(C)c(C(C)=O)s1
InChIInChI=1S/C13H20N2OS/c1-4-7-15(8-11-5-6-11)13-14-9(2)12(17-13)10(3)16/h11H,4-8H2,1-3H3
InChIKeyKNZZSJQDMYKGPD-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.28
Rot. Bonds6

About 1-[2-[cyclopropylmethyl(propyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone

1-[2-[cyclopropylmethyl(propyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 62750125) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-[2-[cyclopropylmethyl(propyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[cyclopropylmethyl(propyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID62750125
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-[2-[cyclopropylmethyl(propyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCCCN(CC1CC1)c1nc(C)c(C(C)=O)s1
InChIInChI=1S/C13H20N2OS/c1-4-7-15(8-11-5-6-11)13-14-9(2)12(17-13)10(3)16/h11H,4-8H2,1-3H3
InChIKeyKNZZSJQDMYKGPD-UHFFFAOYSA-N
XLogP3.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropylmethyl(propyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[cyclopropylmethyl(propyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone (CID 62750125) is 1-[2-[cyclopropylmethyl(propyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[cyclopropylmethyl(propyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[cyclopropylmethyl(propyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone is CCCN(CC1CC1)c1nc(C)c(C(C)=O)s1.
What is the InChIKey of 1-[2-[cyclopropylmethyl(propyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is KNZZSJQDMYKGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-4-7-15(8-11-5-6-11)13-14-9(2)12(17-13)10(3)16/h11H,4-8H2,1-3H3.
What are the key properties of 1-[2-[cyclopropylmethyl(propyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-[cyclopropylmethyl(propyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 252.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropylmethyl(propyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62750125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).