N-cyclopropyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butanamide

C13H18N4OS — CID 115331723

IUPACN-cyclopropyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butanamide
SMILESO=C(CCCNCc1cn2ccsc2n1)NC1CC1
InChIInChI=1S/C13H18N4OS/c18-12(15-10-3-4-10)2-1-5-14-8-11-9-17-6-7-19-13(17)16-11/h6-7,9-10,14H,1-5,8H2,(H,15,18)
InChIKeyXKDJAWQGNPNBBA-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.54
Rot. Bonds7

About N-cyclopropyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butanamide

N-cyclopropyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butanamide (PubChem CID 115331723) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-cyclopropyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butanamide
PubChem CID115331723
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-cyclopropyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butanamide
SMILESO=C(CCCNCc1cn2ccsc2n1)NC1CC1
InChIInChI=1S/C13H18N4OS/c18-12(15-10-3-4-10)2-1-5-14-8-11-9-17-6-7-19-13(17)16-11/h6-7,9-10,14H,1-5,8H2,(H,15,18)
InChIKeyXKDJAWQGNPNBBA-UHFFFAOYSA-N
XLogP1.54
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-iodopropan-1-amine
CID 114503614
1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115334519
1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea
CID 110661647
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylsulfanylhexan-1-amine
CID 114125625
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-propan-2-ylacetamide
CID 115278968
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol
CID 115331674
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 163316234
methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate
CID 115331415
formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 163334581
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-(2-methoxyethyl)acetamide
CID 112683612
2-(2-bicyclo[2.2.1]heptanyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide
CID 134027755
N-(1-cycloheptylpiperidin-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 45244043

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butanamide?
The IUPAC name of N-cyclopropyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butanamide (CID 115331723) is N-cyclopropyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butanamide.
What is the SMILES notation for N-cyclopropyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butanamide?
The canonical SMILES for N-cyclopropyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butanamide is O=C(CCCNCc1cn2ccsc2n1)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butanamide?
The InChIKey is XKDJAWQGNPNBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c18-12(15-10-3-4-10)2-1-5-14-8-11-9-17-6-7-19-13(17)16-11/h6-7,9-10,14H,1-5,8H2,(H,15,18).
What are the key properties of N-cyclopropyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butanamide?
N-cyclopropyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butanamide has a molecular weight of 278.38 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butanamide is sourced from PubChem (CID 115331723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).