tert-butyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoylamino]piperidine-1-carboxylate

C19H26N4O3S — CID 25070782

IUPACtert-butyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoylamino]piperidine-1-carboxylate
SMILESCc1nc2ccc(NC(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)cc2s1
InChIInChI=1S/C19H26N4O3S/c1-12-20-15-6-5-14(11-16(15)27-12)22-17(24)21-13-7-9-23(10-8-13)18(25)26-19(2,3)4/h5-6,11,13H,7-10H2,1-4H3,(H2,21,22,24)
InChIKeyMKUJWEZERXVAFC-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.13
Rot. Bonds2

About tert-butyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoylamino]piperidine-1-carboxylate

tert-butyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoylamino]piperidine-1-carboxylate (PubChem CID 25070782) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is tert-butyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoylamino]piperidine-1-carboxylate
PubChem CID25070782
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Nametert-butyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoylamino]piperidine-1-carboxylate
SMILESCc1nc2ccc(NC(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)cc2s1
InChIInChI=1S/C19H26N4O3S/c1-12-20-15-6-5-14(11-16(15)27-12)22-17(24)21-13-7-9-23(10-8-13)18(25)26-19(2,3)4/h5-6,11,13H,7-10H2,1-4H3,(H2,21,22,24)
InChIKeyMKUJWEZERXVAFC-UHFFFAOYSA-N
XLogP4.13
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[2-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]pyrrol-1-yl]piperidine-1-carboxylate
CID 56538350
1-[(3R)-1,1-dioxothiolan-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 129370179
1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 26115537
tert-butyl 4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 55808806
tert-butyl 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 118561851
tert-butyl (3R)-3-[(3-acetylphenyl)carbamoylamino]pyrrolidine-1-carboxylate
CID 95318306
tert-butyl 4-[[4-[difluoro(phosphanyl)methoxy]phenyl]carbamoylamino]piperidine-1-carboxylate
CID 178000564
(3S)-3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-1-carboxamide
CID 111431157
tert-butyl 4-[(2-methoxycarbonyl-5-methylthiophen-3-yl)carbamoylamino]piperidine-1-carboxylate
CID 123924655
tert-butyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoylamino]piperidine-1-carboxylate
CID 25071103
4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
CID 18152915
ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-benzothiazole-6-carboxylate
CID 86612184

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoylamino]piperidine-1-carboxylate (CID 25070782) is tert-butyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoylamino]piperidine-1-carboxylate is Cc1nc2ccc(NC(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)cc2s1.
What is the InChIKey of tert-butyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoylamino]piperidine-1-carboxylate?
The InChIKey is MKUJWEZERXVAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-12-20-15-6-5-14(11-16(15)27-12)22-17(24)21-13-7-9-23(10-8-13)18(25)26-19(2,3)4/h5-6,11,13H,7-10H2,1-4H3,(H2,21,22,24).
What are the key properties of tert-butyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoylamino]piperidine-1-carboxylate?
tert-butyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoylamino]piperidine-1-carboxylate has a molecular weight of 390.51 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 25070782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).