4-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethyl]-1,3-thiazole-5-carboxylic acid

C14H21N3O5S — CID 175254287

IUPAC4-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethyl]-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)OC(=O)NC(c1ncsc1C(=O)O)N1CCOCC1
InChIInChI=1S/C14H21N3O5S/c1-14(2,3)22-13(20)16-11(17-4-6-21-7-5-17)9-10(12(18)19)23-8-15-9/h8,11H,4-7H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyFRMIHPFPLFPHMK-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.70
Rot. Bonds4

About 4-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethyl]-1,3-thiazole-5-carboxylic acid

4-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 175254287) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID175254287
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC Name4-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethyl]-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)OC(=O)NC(c1ncsc1C(=O)O)N1CCOCC1
InChIInChI=1S/C14H21N3O5S/c1-14(2,3)22-13(20)16-11(17-4-6-21-7-5-17)9-10(12(18)19)23-8-15-9/h8,11H,4-7H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyFRMIHPFPLFPHMK-UHFFFAOYSA-N
XLogP1.70
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethyl]-1,3-thiazole-5-carboxylic acid with MolForge

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Related Compounds

tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate
CID 91120666
tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate
CID 58441909
tert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate
CID 102729414
tert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate
CID 63787814
3-(2,6-dichloro-4-morpholin-4-ylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881365
1,4-dioxane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 70374272
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-morpholin-4-ylpentanoic acid
CID 146596312
5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 123571753
tert-butyl N-[1,2-bis(4-morpholin-4-ylphenyl)ethyl]carbamate
CID 68753649
tert-butyl N-(2-cyano-2-morpholin-4-ylethyl)carbamate
CID 102730821
tert-butyl N-(5-chloro-1,3-benzothiazol-4-yl)carbamate
CID 65142628
tert-butyl 2-(1,4-oxazepan-4-yl)propanoate
CID 64687533

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethyl]-1,3-thiazole-5-carboxylic acid (CID 175254287) is 4-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethyl]-1,3-thiazole-5-carboxylic acid is CC(C)(C)OC(=O)NC(c1ncsc1C(=O)O)N1CCOCC1.
What is the InChIKey of 4-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is FRMIHPFPLFPHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-14(2,3)22-13(20)16-11(17-4-6-21-7-5-17)9-10(12(18)19)23-8-15-9/h8,11H,4-7H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethyl]-1,3-thiazole-5-carboxylic acid?
4-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 343.41 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 175254287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).