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

C9H15N3OS — CID 63296854

IUPAC3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
SMILESNC(=O)CCNC1=NCC(C2CC2)S1
InChIInChI=1S/C9H15N3OS/c10-8(13)3-4-11-9-12-5-7(14-9)6-1-2-6/h6-7H,1-5H2,(H2,10,13)(H,11,12)
InChIKeyMDKXDHPRCBELTC-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.33
Rot. Bonds4

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

3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide (PubChem CID 63296854) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
PubChem CID63296854
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
SMILESNC(=O)CCNC1=NCC(C2CC2)S1
InChIInChI=1S/C9H15N3OS/c10-8(13)3-4-11-9-12-5-7(14-9)6-1-2-6/h6-7H,1-5H2,(H2,10,13)(H,11,12)
InChIKeyMDKXDHPRCBELTC-UHFFFAOYSA-N
XLogP0.33
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The IUPAC name of 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide (CID 63296854) is 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide.
What is the SMILES notation for 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The canonical SMILES for 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide is NC(=O)CCNC1=NCC(C2CC2)S1.
What is the InChIKey of 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The InChIKey is MDKXDHPRCBELTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c10-8(13)3-4-11-9-12-5-7(14-9)6-1-2-6/h6-7H,1-5H2,(H2,10,13)(H,11,12).
What are the key properties of 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide has a molecular weight of 213.31 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide is sourced from PubChem (CID 63296854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).