1-tert-butyl-3-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]urea

C11H20N4OS — CID 64556505

IUPAC1-tert-butyl-3-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]urea
SMILESCNC(C)c1csc(NC(=O)NC(C)(C)C)n1
InChIInChI=1S/C11H20N4OS/c1-7(12-5)8-6-17-10(13-8)14-9(16)15-11(2,3)4/h6-7,12H,1-5H3,(H2,13,14,15,16)
InChIKeyODBJNAWFHIPCCI-UHFFFAOYSA-N
MW256.38 g/mol
LogP2.34
Rot. Bonds3

About 1-tert-butyl-3-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]urea

1-tert-butyl-3-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]urea (PubChem CID 64556505) has the molecular formula C11H20N4OS and a molecular weight of 256.38 g/mol. Its IUPAC name is 1-tert-butyl-3-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]urea
PubChem CID64556505
Molecular FormulaC11H20N4OS
Molecular Weight256.38 g/mol
Exact Mass256.14
IUPAC Name1-tert-butyl-3-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]urea
SMILESCNC(C)c1csc(NC(=O)NC(C)(C)C)n1
InChIInChI=1S/C11H20N4OS/c1-7(12-5)8-6-17-10(13-8)14-9(16)15-11(2,3)4/h6-7,12H,1-5H3,(H2,13,14,15,16)
InChIKeyODBJNAWFHIPCCI-UHFFFAOYSA-N
XLogP2.34
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.38
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64556868
2,3-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butanamide
CID 64557263
1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea;ethane
CID 143608747
5-methyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 64558252
N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 64557656
N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 64557853
5-fluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 104785736
2,4-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 64555679
2-ethyl-5-methyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 66128265
2-(2-methoxyphenyl)-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]acetamide
CID 64556077
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64555493
tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 65142790

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-tert-butyl-3-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]urea (CID 64556505) is 1-tert-butyl-3-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-tert-butyl-3-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-tert-butyl-3-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]urea is CNC(C)c1csc(NC(=O)NC(C)(C)C)n1.
What is the InChIKey of 1-tert-butyl-3-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]urea?
The InChIKey is ODBJNAWFHIPCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-7(12-5)8-6-17-10(13-8)14-9(16)15-11(2,3)4/h6-7,12H,1-5H3,(H2,13,14,15,16).
What are the key properties of 1-tert-butyl-3-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]urea?
1-tert-butyl-3-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]urea has a molecular weight of 256.38 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 64556505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).