2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid

C11H17N3O3S — CID 60839667

IUPAC2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
SMILESCc1csc(NC(=O)CN(CC(=O)O)C(C)C)n1
InChIInChI=1S/C11H17N3O3S/c1-7(2)14(5-10(16)17)4-9(15)13-11-12-8(3)6-18-11/h6-7H,4-5H2,1-3H3,(H,16,17)(H,12,13,15)
InChIKeyPMBUCDNNMHPQKU-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.19
Rot. Bonds6

About 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid

2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid (PubChem CID 60839667) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
PubChem CID60839667
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
SMILESCc1csc(NC(=O)CN(CC(=O)O)C(C)C)n1
InChIInChI=1S/C11H17N3O3S/c1-7(2)14(5-10(16)17)4-9(15)13-11-12-8(3)6-18-11/h6-7H,4-5H2,1-3H3,(H,16,17)(H,12,13,15)
InChIKeyPMBUCDNNMHPQKU-UHFFFAOYSA-N
XLogP1.19
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 47124647
2-[tert-butyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 79269282
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 47123357
2-[(3-amino-4-methylpentyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 81491242
methyl 2-methyl-3-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propanoate
CID 62004523
3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
CID 61196654
2-[ethyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 55123515
N-[(2R)-butan-2-yl]-3,3-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide
CID 7396587
4-butyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4609111
2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]acetic acid
CID 61196097
2-chloro-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 4052949
2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4625146

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid (CID 60839667) is 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid is Cc1csc(NC(=O)CN(CC(=O)O)C(C)C)n1.
What is the InChIKey of 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid?
The InChIKey is PMBUCDNNMHPQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-7(2)14(5-10(16)17)4-9(15)13-11-12-8(3)6-18-11/h6-7H,4-5H2,1-3H3,(H,16,17)(H,12,13,15).
What are the key properties of 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid?
2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid has a molecular weight of 271.34 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60839667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).