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

C10H16ClN3O2S — CID 114518206

IUPACtert-butyl N-[2-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1nc(Cl)cs1
InChIInChI=1S/C10H16ClN3O2S/c1-10(2,3)16-9(15)13-5-4-12-8-14-7(11)6-17-8/h6H,4-5H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyFUVKIFGOQAMTBU-UHFFFAOYSA-N
MW277.78 g/mol
LogP2.73
Rot. Bonds4

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

tert-butyl N-[2-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]carbamate (PubChem CID 114518206) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]carbamate
PubChem CID114518206
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC Nametert-butyl N-[2-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1nc(Cl)cs1
InChIInChI=1S/C10H16ClN3O2S/c1-10(2,3)16-9(15)13-5-4-12-8-14-7(11)6-17-8/h6H,4-5H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyFUVKIFGOQAMTBU-UHFFFAOYSA-N
XLogP2.73
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate
CID 115595638
N'-(4-chloro-1,3-thiazol-2-yl)-N-ethylethane-1,2-diamine
CID 83156277
tert-butyl N-[2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]carbamate
CID 114448421
tert-butyl N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate
CID 112639562
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-1,3-thiazole-5-carboxylic acid
CID 87648198
4-chloro-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 83153720
tert-butyl N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]carbamate
CID 54277213
tert-butyl N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]carbamate
CID 47116057
2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]-3-methylbutanoic acid
CID 83153567
tert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate
CID 77231610
tert-butyl N-[2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]carbamate
CID 102716232
tert-butyl N-[3-(2-methyl-1,3-thiazol-4-yl)-3-oxopropyl]carbamate
CID 165465018

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]carbamate (CID 114518206) is tert-butyl N-[2-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNc1nc(Cl)cs1.
What is the InChIKey of tert-butyl N-[2-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]carbamate?
The InChIKey is FUVKIFGOQAMTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S/c1-10(2,3)16-9(15)13-5-4-12-8-14-7(11)6-17-8/h6H,4-5H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of tert-butyl N-[2-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]carbamate?
tert-butyl N-[2-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]carbamate has a molecular weight of 277.78 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]carbamate is sourced from PubChem (CID 114518206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).