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

C12H23N3OS — CID 106285002

IUPACN-methyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
SMILESCCC(CC)C1CN=C(NC(C)C(=O)NC)S1
InChIInChI=1S/C12H23N3OS/c1-5-9(6-2)10-7-14-12(17-10)15-8(3)11(16)13-4/h8-10H,5-7H2,1-4H3,(H,13,16)(H,14,15)
InChIKeySMCPHDZHVCGTCG-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.62
Rot. Bonds5

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

N-methyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide (PubChem CID 106285002) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-methyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
PubChem CID106285002
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN-methyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
SMILESCCC(CC)C1CN=C(NC(C)C(=O)NC)S1
InChIInChI=1S/C12H23N3OS/c1-5-9(6-2)10-7-14-12(17-10)15-8(3)11(16)13-4/h8-10H,5-7H2,1-4H3,(H,13,16)(H,14,15)
InChIKeySMCPHDZHVCGTCG-UHFFFAOYSA-N
XLogP1.62
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The IUPAC name of N-methyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide (CID 106285002) is N-methyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide.
What is the SMILES notation for N-methyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The canonical SMILES for N-methyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide is CCC(CC)C1CN=C(NC(C)C(=O)NC)S1.
What is the InChIKey of N-methyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The InChIKey is SMCPHDZHVCGTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-5-9(6-2)10-7-14-12(17-10)15-8(3)11(16)13-4/h8-10H,5-7H2,1-4H3,(H,13,16)(H,14,15).
What are the key properties of N-methyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
N-methyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide has a molecular weight of 257.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide is sourced from PubChem (CID 106285002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).