1-[(2R)-2-(dimethylamino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

C11H20N4OS — CID 95134341

IUPAC1-[(2R)-2-(dimethylamino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1nc(CNC(=O)NC[C@@H](C)N(C)C)cs1
InChIInChI=1S/C11H20N4OS/c1-8(15(3)4)5-12-11(16)13-6-10-7-17-9(2)14-10/h7-8H,5-6H2,1-4H3,(H2,12,13,16)/t8-/m1/s1
InChIKeyDEDWZFXNPYOKRD-MRVPVSSYSA-N
MW256.37 g/mol
LogP1.20
Rot. Bonds5

About 1-[(2R)-2-(dimethylamino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

1-[(2R)-2-(dimethylamino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 95134341) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-[(2R)-2-(dimethylamino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(dimethylamino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID95134341
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name1-[(2R)-2-(dimethylamino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1nc(CNC(=O)NC[C@@H](C)N(C)C)cs1
InChIInChI=1S/C11H20N4OS/c1-8(15(3)4)5-12-11(16)13-6-10-7-17-9(2)14-10/h7-8H,5-6H2,1-4H3,(H2,12,13,16)/t8-/m1/s1
InChIKeyDEDWZFXNPYOKRD-MRVPVSSYSA-N
XLogP1.20
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(N-methylanilino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51084045
1-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 95133792
1-butyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 47237480
1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51083600
1-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94047885
1-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94047921
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 108760194
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(3-ethyl-2-hydroxypentyl)urea
CID 111603963
3-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 62963975
1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea
CID 95131912
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 51084054
2-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]heptanoic acid
CID 65287409

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(dimethylamino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-[(2R)-2-(dimethylamino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (CID 95134341) is 1-[(2R)-2-(dimethylamino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[(2R)-2-(dimethylamino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-[(2R)-2-(dimethylamino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is Cc1nc(CNC(=O)NC[C@@H](C)N(C)C)cs1.
What is the InChIKey of 1-[(2R)-2-(dimethylamino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is DEDWZFXNPYOKRD-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-8(15(3)4)5-12-11(16)13-6-10-7-17-9(2)14-10/h7-8H,5-6H2,1-4H3,(H2,12,13,16)/t8-/m1/s1.
What are the key properties of 1-[(2R)-2-(dimethylamino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
1-[(2R)-2-(dimethylamino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 256.37 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(dimethylamino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 95134341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).