N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-2-(oxan-4-yl)acetamide

C18H22N4O3S — CID 120783216

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-2-(oxan-4-yl)acetamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)C(N)C3CCOCC3)n2)cc1
InChIInChI=1S/C18H22N4O3S/c1-11(23)20-14-4-2-12(3-5-14)15-10-26-18(21-15)22-17(24)16(19)13-6-8-25-9-7-13/h2-5,10,13,16H,6-9,19H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyHOOUGXCJHKARTL-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.46
Rot. Bonds5

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-2-(oxan-4-yl)acetamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-2-(oxan-4-yl)acetamide (PubChem CID 120783216) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-2-(oxan-4-yl)acetamide
PubChem CID120783216
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-2-(oxan-4-yl)acetamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)C(N)C3CCOCC3)n2)cc1
InChIInChI=1S/C18H22N4O3S/c1-11(23)20-14-4-2-12(3-5-14)15-10-26-18(21-15)22-17(24)16(19)13-6-8-25-9-7-13/h2-5,10,13,16H,6-9,19H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyHOOUGXCJHKARTL-UHFFFAOYSA-N
XLogP2.46
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787149
2-amino-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783341
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide
CID 119676269
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 26893877
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 119676273
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 120785656
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51261910
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119676258
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31824270
N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide
CID 120792716

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-2-(oxan-4-yl)acetamide (CID 120783216) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-2-(oxan-4-yl)acetamide is CC(=O)Nc1ccc(-c2csc(NC(=O)C(N)C3CCOCC3)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-2-(oxan-4-yl)acetamide?
The InChIKey is HOOUGXCJHKARTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-11(23)20-14-4-2-12(3-5-14)15-10-26-18(21-15)22-17(24)16(19)13-6-8-25-9-7-13/h2-5,10,13,16H,6-9,19H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-2-(oxan-4-yl)acetamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-2-(oxan-4-yl)acetamide has a molecular weight of 374.47 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120783216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).