N-carbamoyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide

C8H12N4O2S — CID 61280636

IUPACN-carbamoyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
SMILESCc1ncc(CNCC(=O)NC(N)=O)s1
InChIInChI=1S/C8H12N4O2S/c1-5-11-3-6(15-5)2-10-4-7(13)12-8(9)14/h3,10H,2,4H2,1H3,(H3,9,12,13,14)
InChIKeyIAPWSXMNRYFNRG-UHFFFAOYSA-N
MW228.28 g/mol
LogP-0.26
Rot. Bonds4

About N-carbamoyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide

N-carbamoyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide (PubChem CID 61280636) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is N-carbamoyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
PubChem CID61280636
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC NameN-carbamoyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
SMILESCc1ncc(CNCC(=O)NC(N)=O)s1
InChIInChI=1S/C8H12N4O2S/c1-5-11-3-6(15-5)2-10-4-7(13)12-8(9)14/h3,10H,2,4H2,1H3,(H3,9,12,13,14)
InChIKeyIAPWSXMNRYFNRG-UHFFFAOYSA-N
XLogP-0.26
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide?
The IUPAC name of N-carbamoyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide (CID 61280636) is N-carbamoyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide.
What is the SMILES notation for N-carbamoyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide?
The canonical SMILES for N-carbamoyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide is Cc1ncc(CNCC(=O)NC(N)=O)s1.
What is the InChIKey of N-carbamoyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide?
The InChIKey is IAPWSXMNRYFNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-5-11-3-6(15-5)2-10-4-7(13)12-8(9)14/h3,10H,2,4H2,1H3,(H3,9,12,13,14).
What are the key properties of N-carbamoyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide?
N-carbamoyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide has a molecular weight of 228.28 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide is sourced from PubChem (CID 61280636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).