tert-butyl N-[1-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate

C14H23N3O3S — CID 56826726

IUPACtert-butyl N-[1-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCCc1csc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H23N3O3S/c1-7-9-8-21-11(15-9)16-10(18)14(5,6)17-12(19)20-13(2,3)4/h8H,7H2,1-6H3,(H,17,19)(H,15,16,18)
InChIKeyCYSLKIRVTHHAJZ-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.95
Rot. Bonds4

About tert-butyl N-[1-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate (PubChem CID 56826726) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is tert-butyl N-[1-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate
PubChem CID56826726
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Nametert-butyl N-[1-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCCc1csc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H23N3O3S/c1-7-9-8-21-11(15-9)16-10(18)14(5,6)17-12(19)20-13(2,3)4/h8H,7H2,1-6H3,(H,17,19)(H,15,16,18)
InChIKeyCYSLKIRVTHHAJZ-UHFFFAOYSA-N
XLogP2.95
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-azanyl-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide
CID 64557722
NA inhibitor, 3a
CID 16751380
NA inhibitor, 3c
CID 16751381
(S)-Ethyl 2-(2-(2-(tert-butoxycarbonylamino)propanamido)thiazol-4-yl)acetate (4a)
CID 129010826
(S)-2-(2-(2-(tert-Butoxycarbonylamino)propanamido)thiazol-4-yl)acetic acid (4c)
CID 129010828
tert-butyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate
CID 79123145
CID 177799442
CID 177799442
tert-butyl N-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]carbamate
CID 130441269
tert-butyl N-[1-oxo-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-yl]carbamate
CID 78865889
2-amino-3,3,3-trifluoro-2-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 79805811
N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3,3-trifluoro-2-methylpropanamide
CID 79810911
Tert-butyl 4-(2-aminoethyl)-1,3-thiazol-2-ylcarbamate
CID 18687987

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate (CID 56826726) is tert-butyl N-[1-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate is CCc1csc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[1-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate?
The InChIKey is CYSLKIRVTHHAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-7-9-8-21-11(15-9)16-10(18)14(5,6)17-12(19)20-13(2,3)4/h8H,7H2,1-6H3,(H,17,19)(H,15,16,18).
What are the key properties of tert-butyl N-[1-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate has a molecular weight of 313.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 56826726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).