tert-butyl N-[(3R,4R)-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]oxan-4-yl]carbamate

C14H22ClN3O3S — CID 167800652

IUPACtert-butyl N-[(3R,4R)-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]oxan-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NCc1ncc(Cl)s1
InChIInChI=1S/C14H22ClN3O3S/c1-14(2,3)21-13(19)18-9-4-5-20-8-10(9)16-7-12-17-6-11(15)22-12/h6,9-10,16H,4-5,7-8H2,1-3H3,(H,18,19)/t9-,10+/m1/s1
InChIKeyRVNALASBHBPEDP-ZJUUUORDSA-N
MW347.87 g/mol
LogP2.57
Rot. Bonds4

About tert-butyl N-[(3R,4R)-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]oxan-4-yl]carbamate

tert-butyl N-[(3R,4R)-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]oxan-4-yl]carbamate (PubChem CID 167800652) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is tert-butyl N-[(3R,4R)-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]oxan-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4R)-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]oxan-4-yl]carbamate
PubChem CID167800652
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC Nametert-butyl N-[(3R,4R)-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]oxan-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NCc1ncc(Cl)s1
InChIInChI=1S/C14H22ClN3O3S/c1-14(2,3)21-13(19)18-9-4-5-20-8-10(9)16-7-12-17-6-11(15)22-12/h6,9-10,16H,4-5,7-8H2,1-3H3,(H,18,19)/t9-,10+/m1/s1
InChIKeyRVNALASBHBPEDP-ZJUUUORDSA-N
XLogP2.57
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(3R,4R)-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]oxan-4-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-cyclopropylethyl]carbamate
CID 104879550
tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]carbamate
CID 103917457
tert-butyl N-[4-[(5-methyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]carbamate
CID 103948517
tert-butyl N-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclobutyl]carbamate
CID 104879622
tert-butyl N-[2-[(5-chloro-2-pyridinyl)methylamino]cyclopentyl]carbamate
CID 86794465
tert-butyl N-[(3S,4R)-4-formyloxan-3-yl]carbamate
CID 59094980
benzyl N-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl]carbamate
CID 134454025
tert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate
CID 103741068
benzyl N-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl]carbamate
CID 121422057
tert-butyl N-[(3R,4S)-4-(cyclopentylamino)oxan-3-yl]carbamate
CID 67358949
tert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate
CID 103917367
tert-butyl N-[3-[[4-(4-chloropyrazol-1-yl)-2-fluorophenoxy]methyl]oxan-4-yl]carbamate
CID 86709080

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4R)-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]oxan-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4R)-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]oxan-4-yl]carbamate (CID 167800652) is tert-butyl N-[(3R,4R)-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]oxan-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4R)-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]oxan-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4R)-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]oxan-4-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NCc1ncc(Cl)s1.
What is the InChIKey of tert-butyl N-[(3R,4R)-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]oxan-4-yl]carbamate?
The InChIKey is RVNALASBHBPEDP-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H22ClN3O3S/c1-14(2,3)21-13(19)18-9-4-5-20-8-10(9)16-7-12-17-6-11(15)22-12/h6,9-10,16H,4-5,7-8H2,1-3H3,(H,18,19)/t9-,10+/m1/s1.
What are the key properties of tert-butyl N-[(3R,4R)-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]oxan-4-yl]carbamate?
tert-butyl N-[(3R,4R)-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]oxan-4-yl]carbamate has a molecular weight of 347.87 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4R)-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]oxan-4-yl]carbamate is sourced from PubChem (CID 167800652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).