[(6S)-2-cyclopropyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate

C15H22N2O2S — CID 175514087

IUPAC[(6S)-2-cyclopropyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@H]1CCc2nc(C3CC3)sc2C1
InChIInChI=1S/C15H22N2O2S/c1-15(2,3)17-14(18)19-10-6-7-11-12(8-10)20-13(16-11)9-4-5-9/h9-10H,4-8H2,1-3H3,(H,17,18)/t10-/m0/s1
InChIKeySHXKMQRMKRTXTF-JTQLQIEISA-N
MW294.42 g/mol
LogP3.40
Rot. Bonds2

About [(6S)-2-cyclopropyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate

[(6S)-2-cyclopropyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate (PubChem CID 175514087) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is [(6S)-2-cyclopropyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(6S)-2-cyclopropyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate
PubChem CID175514087
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name[(6S)-2-cyclopropyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@H]1CCc2nc(C3CC3)sc2C1
InChIInChI=1S/C15H22N2O2S/c1-15(2,3)17-14(18)19-10-6-7-11-12(8-10)20-13(16-11)9-4-5-9/h9-10H,4-8H2,1-3H3,(H,17,18)/t10-/m0/s1
InChIKeySHXKMQRMKRTXTF-JTQLQIEISA-N
XLogP3.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(6S)-2-cyclopropyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate with MolForge

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Related Compounds

[(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate
CID 175514077
[(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate
CID 175514050
methyl 3-[6-(3-methoxy-3-oxopropanoyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]cyclobutane-1-carboxylate
CID 155783557
2,2-dimethyl-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110289961
(3-sulfanylcyclobutyl) N-tert-butylcarbamate
CID 165144304
[2-(diaminomethylideneamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-phenylcarbamate
CID 87957238
1-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 136530579
2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide
CID 130511969
(3-ethoxycyclopentyl) N-tert-butylcarbamate
CID 162785975
ethyl 2-oxo-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]acetate
CID 110289985
tert-butyl N-[4-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)phenyl]carbamate
CID 177360018
methyl (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate
CID 86313336

Frequently Asked Questions

What is the IUPAC name of [(6S)-2-cyclopropyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate?
The IUPAC name of [(6S)-2-cyclopropyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate (CID 175514087) is [(6S)-2-cyclopropyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(6S)-2-cyclopropyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate?
The canonical SMILES for [(6S)-2-cyclopropyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)O[C@H]1CCc2nc(C3CC3)sc2C1.
What is the InChIKey of [(6S)-2-cyclopropyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate?
The InChIKey is SHXKMQRMKRTXTF-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-15(2,3)17-14(18)19-10-6-7-11-12(8-10)20-13(16-11)9-4-5-9/h9-10H,4-8H2,1-3H3,(H,17,18)/t10-/m0/s1.
What are the key properties of [(6S)-2-cyclopropyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate?
[(6S)-2-cyclopropyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate has a molecular weight of 294.42 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-2-cyclopropyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate is sourced from PubChem (CID 175514087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).