N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide

C19H26N4O2S — CID 78780585

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide
SMILESCC(C)C(NC(=O)Nc1ccccc1)C(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C19H26N4O2S/c1-12(2)15(22-17(25)20-13-9-7-6-8-10-13)16(24)23-18-21-14(11-26-18)19(3,4)5/h6-12,15H,1-5H3,(H2,20,22,25)(H,21,23,24)
InChIKeyVTRSQQZRMDRVSS-UHFFFAOYSA-N
MW374.51 g/mol
LogP4.23
Rot. Bonds5

About N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide (PubChem CID 78780585) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide
PubChem CID78780585
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide
SMILESCC(C)C(NC(=O)Nc1ccccc1)C(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C19H26N4O2S/c1-12(2)15(22-17(25)20-13-9-7-6-8-10-13)16(24)23-18-21-14(11-26-18)19(3,4)5/h6-12,15H,1-5H3,(H2,20,22,25)(H,21,23,24)
InChIKeyVTRSQQZRMDRVSS-UHFFFAOYSA-N
XLogP4.23
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 78973521
3-methyl-N-[4-(2-methylpropanoylamino)phenyl]-2-(phenylcarbamoylamino)butanamide
CID 78773473
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 107025368
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)propanamide
CID 86902839
N-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 134045604
N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 17462903
3-methyl-2-(phenylcarbamoylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 78792498
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)urea
CID 59380913
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
CID 2861258
N-(3,5-difluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 134061504
(2R)-3-methyl-N-(1-methylpyrazol-3-yl)-2-(phenylcarbamoylamino)butanamide
CID 95322287
(2S)-3-methyl-2-(phenylcarbamoylamino)-N-quinolin-8-ylbutanamide
CID 9107572

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide (CID 78780585) is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide is CC(C)C(NC(=O)Nc1ccccc1)C(=O)Nc1nc(C(C)(C)C)cs1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide?
The InChIKey is VTRSQQZRMDRVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-12(2)15(22-17(25)20-13-9-7-6-8-10-13)16(24)23-18-21-14(11-26-18)19(3,4)5/h6-12,15H,1-5H3,(H2,20,22,25)(H,21,23,24).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide has a molecular weight of 374.51 g/mol, XLogP of 4.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide is sourced from PubChem (CID 78780585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).