N,N-dimethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide

C12H23N3OS — CID 54950389

IUPACN,N-dimethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide
SMILESCC(C)CC1CSC(NC(C)C(=O)N(C)C)=N1
InChIInChI=1S/C12H23N3OS/c1-8(2)6-10-7-17-12(14-10)13-9(3)11(16)15(4)5/h8-10H,6-7H2,1-5H3,(H,13,14)
InChIKeyUGZRRYCLJWBNFZ-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.57
Rot. Bonds4

About N,N-dimethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide

N,N-dimethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide (PubChem CID 54950389) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide
PubChem CID54950389
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN,N-dimethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide
SMILESCC(C)CC1CSC(NC(C)C(=O)N(C)C)=N1
InChIInChI=1S/C12H23N3OS/c1-8(2)6-10-7-17-12(14-10)13-9(3)11(16)15(4)5/h8-10H,6-7H2,1-5H3,(H,13,14)
InChIKeyUGZRRYCLJWBNFZ-UHFFFAOYSA-N
XLogP1.57
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide?
The IUPAC name of N,N-dimethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide (CID 54950389) is N,N-dimethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide?
The canonical SMILES for N,N-dimethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide is CC(C)CC1CSC(NC(C)C(=O)N(C)C)=N1.
What is the InChIKey of N,N-dimethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide?
The InChIKey is UGZRRYCLJWBNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-8(2)6-10-7-17-12(14-10)13-9(3)11(16)15(4)5/h8-10H,6-7H2,1-5H3,(H,13,14).
What are the key properties of N,N-dimethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide?
N,N-dimethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide has a molecular weight of 257.40 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide is sourced from PubChem (CID 54950389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).