tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-3-(4-methyl-1,3-thiazol-2-yl)propyl]carbamate

C17H28N2O3S — CID 106508229

IUPACtert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-3-(4-methyl-1,3-thiazol-2-yl)propyl]carbamate
SMILESCc1csc(CC(CO)(CNC(=O)OC(C)(C)C)CC2CC2)n1
InChIInChI=1S/C17H28N2O3S/c1-12-9-23-14(19-12)8-17(11-20,7-13-5-6-13)10-18-15(21)22-16(2,3)4/h9,13,20H,5-8,10-11H2,1-4H3,(H,18,21)
InChIKeyYCPAMBNUFZACBX-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.30
Rot. Bonds7

About tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-3-(4-methyl-1,3-thiazol-2-yl)propyl]carbamate

tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-3-(4-methyl-1,3-thiazol-2-yl)propyl]carbamate (PubChem CID 106508229) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-3-(4-methyl-1,3-thiazol-2-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-3-(4-methyl-1,3-thiazol-2-yl)propyl]carbamate
PubChem CID106508229
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Nametert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-3-(4-methyl-1,3-thiazol-2-yl)propyl]carbamate
SMILESCc1csc(CC(CO)(CNC(=O)OC(C)(C)C)CC2CC2)n1
InChIInChI=1S/C17H28N2O3S/c1-12-9-23-14(19-12)8-17(11-20,7-13-5-6-13)10-18-15(21)22-16(2,3)4/h9,13,20H,5-8,10-11H2,1-4H3,(H,18,21)
InChIKeyYCPAMBNUFZACBX-UHFFFAOYSA-N
XLogP3.30
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-3-(4-methyl-1,3-thiazol-2-yl)propyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-3-(1-methylpyrazol-4-yl)propyl]carbamate
CID 106508210
tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-5-methylhexyl]carbamate
CID 106508190
2-(cyclopropylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 106490223
tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-5-methylsulfanylpentyl]carbamate
CID 106508227
tert-butyl N-[2,2-bis(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 12986877
2-(cyclopropylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(1,3-thiazol-4-yl)propanoic acid
CID 106490246
tert-butyl N-[2-cyclopropyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-hydroxypropyl]carbamate
CID 106506719
2,2-bis(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 106490227
tert-butyl N-[5-methoxy-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentyl]carbamate
CID 103389416
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
dimethyl 2-cyclopentyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]propanedioate
CID 103973108
methyl (2S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4-methyl-1,3-thiazol-2-yl)methoxycarbonylamino]propanoate
CID 59166660

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-3-(4-methyl-1,3-thiazol-2-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-3-(4-methyl-1,3-thiazol-2-yl)propyl]carbamate (CID 106508229) is tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-3-(4-methyl-1,3-thiazol-2-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-3-(4-methyl-1,3-thiazol-2-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-3-(4-methyl-1,3-thiazol-2-yl)propyl]carbamate is Cc1csc(CC(CO)(CNC(=O)OC(C)(C)C)CC2CC2)n1.
What is the InChIKey of tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-3-(4-methyl-1,3-thiazol-2-yl)propyl]carbamate?
The InChIKey is YCPAMBNUFZACBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-12-9-23-14(19-12)8-17(11-20,7-13-5-6-13)10-18-15(21)22-16(2,3)4/h9,13,20H,5-8,10-11H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-3-(4-methyl-1,3-thiazol-2-yl)propyl]carbamate?
tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-3-(4-methyl-1,3-thiazol-2-yl)propyl]carbamate has a molecular weight of 340.49 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-3-(4-methyl-1,3-thiazol-2-yl)propyl]carbamate is sourced from PubChem (CID 106508229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).