tert-butyl N-[5-(2-aminoethyl)-1,3-thiazol-2-yl]carbamate

C10H17N3O2S — CID 45117855

IUPACtert-butyl N-[5-(2-aminoethyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(CCN)s1
InChIInChI=1S/C10H17N3O2S/c1-10(2,3)15-9(14)13-8-12-6-7(16-8)4-5-11/h6H,4-5,11H2,1-3H3,(H,12,13,14)
InChIKeyJWVMWSDKFZKDMQ-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.99
Rot. Bonds3

About tert-butyl N-[5-(2-aminoethyl)-1,3-thiazol-2-yl]carbamate

tert-butyl N-[5-(2-aminoethyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 45117855) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is tert-butyl N-[5-(2-aminoethyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(2-aminoethyl)-1,3-thiazol-2-yl]carbamate
PubChem CID45117855
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Nametert-butyl N-[5-(2-aminoethyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(CCN)s1
InChIInChI=1S/C10H17N3O2S/c1-10(2,3)15-9(14)13-8-12-6-7(16-8)4-5-11/h6H,4-5,11H2,1-3H3,(H,12,13,14)
InChIKeyJWVMWSDKFZKDMQ-UHFFFAOYSA-N
XLogP1.99
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 44396116
tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]carbamate
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Tert-butyl (5-ethynylthiazol-2-yl)carbamate
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Tert-butyl 3-(2-amino-1,3-thiazol-5-yl)azetidine-1-carboxylate
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tert-Butyl (5-acetylthiazol-2-yl)carbamate
CID 45117871
2-[2-[(2,2,2-Trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethylcarbamic acid
CID 23115832
Tert-butyl (2-{2-[(trifluoroacetyl)amino]-1,3-thiazol-5-yl}ethyl)carbamate
CID 86612436
N-(5-ethyl-1,3-thiazol-2-yl)acetamide
CID 822440
N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 12393065
N-[2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethyl]carbamate
CID 23115831
tert-butyl N-[2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]carbamate
CID 133522959
tert-butyl N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]carbamate
CID 165703104

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(2-aminoethyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(2-aminoethyl)-1,3-thiazol-2-yl]carbamate (CID 45117855) is tert-butyl N-[5-(2-aminoethyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(2-aminoethyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(2-aminoethyl)-1,3-thiazol-2-yl]carbamate is CC(C)(C)OC(=O)Nc1ncc(CCN)s1.
What is the InChIKey of tert-butyl N-[5-(2-aminoethyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is JWVMWSDKFZKDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-10(2,3)15-9(14)13-8-12-6-7(16-8)4-5-11/h6H,4-5,11H2,1-3H3,(H,12,13,14).
What are the key properties of tert-butyl N-[5-(2-aminoethyl)-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[5-(2-aminoethyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 243.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(2-aminoethyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 45117855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).