2-[cyclopropylmethyl(ethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one

C13H18N2OS — CID 63941076

IUPAC2-[cyclopropylmethyl(ethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCCN(CC1CC1)c1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C13H18N2OS/c1-2-15(8-9-6-7-9)13-14-10-4-3-5-11(16)12(10)17-13/h9H,2-8H2,1H3
InChIKeyGMKOJICDTIXSAG-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.90
Rot. Bonds4

About 2-[cyclopropylmethyl(ethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one

2-[cyclopropylmethyl(ethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one (PubChem CID 63941076) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(ethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-[cyclopropylmethyl(ethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
PubChem CID63941076
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-[cyclopropylmethyl(ethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCCN(CC1CC1)c1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C13H18N2OS/c1-2-15(8-9-6-7-9)13-14-10-4-3-5-11(16)12(10)17-13/h9H,2-8H2,1H3
InChIKeyGMKOJICDTIXSAG-UHFFFAOYSA-N
XLogP2.90
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(oxan-4-ylmethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 63707013
2-[bis(2-methylpropyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62752331
2-N-(cyclopropylmethyl)-2-N,7-N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 63938747
2-[methyl(oxan-2-ylmethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 55114086
2-ethyl-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62079122
2-[cyclopropylmethyl(ethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 63940672
2-(N-butylanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 64584672
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62888058
2-pentan-3-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62312554
2-[(4-bromophenyl)methyl-methylamino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62750142
2-cyclopentyl-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62078762
2-[cyclopropylmethyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 63938356

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one (CID 63941076) is 2-[cyclopropylmethyl(ethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-[cyclopropylmethyl(ethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The canonical SMILES for 2-[cyclopropylmethyl(ethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one is CCN(CC1CC1)c1nc2c(s1)C(=O)CCC2.
What is the InChIKey of 2-[cyclopropylmethyl(ethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The InChIKey is GMKOJICDTIXSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-2-15(8-9-6-7-9)13-14-10-4-3-5-11(16)12(10)17-13/h9H,2-8H2,1H3.
What are the key properties of 2-[cyclopropylmethyl(ethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
2-[cyclopropylmethyl(ethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one has a molecular weight of 250.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(ethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one is sourced from PubChem (CID 63941076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).