N-[3-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]propyl]cyclobutanecarboxamide

C16H24N4O2S — CID 71978867

IUPACN-[3-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]propyl]cyclobutanecarboxamide
SMILESO=C(NCCCNC(=O)C1CCC1)NC(c1nccs1)C1CC1
InChIInChI=1S/C16H24N4O2S/c21-14(12-3-1-4-12)17-7-2-8-19-16(22)20-13(11-5-6-11)15-18-9-10-23-15/h9-13H,1-8H2,(H,17,21)(H2,19,20,22)
InChIKeyPQGSCYMNAOOGQG-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.20
Rot. Bonds8

About N-[3-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]propyl]cyclobutanecarboxamide

N-[3-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]propyl]cyclobutanecarboxamide (PubChem CID 71978867) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[3-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]propyl]cyclobutanecarboxamide
PubChem CID71978867
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-[3-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]propyl]cyclobutanecarboxamide
SMILESO=C(NCCCNC(=O)C1CCC1)NC(c1nccs1)C1CC1
InChIInChI=1S/C16H24N4O2S/c21-14(12-3-1-4-12)17-7-2-8-19-16(22)20-13(11-5-6-11)15-18-9-10-23-15/h9-13H,1-8H2,(H,17,21)(H2,19,20,22)
InChIKeyPQGSCYMNAOOGQG-UHFFFAOYSA-N
XLogP2.20
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide
CID 97219025
N-[[4-[(S)-acetamido(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohexanecarboxamide
CID 98077180
1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 96520241
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 100895196
N-[[4-[(R)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-5-methylthiophene-2-carboxamide
CID 98077255
1-(cyclobutylmethyl)-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-methylurea
CID 95968026
N-[[4-[(S)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 98077263
1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]urea
CID 124866504
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 71985733
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 95907898
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111506905
2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]amino]ethanol
CID 46785170

Frequently Asked Questions

What is the IUPAC name of N-[3-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]propyl]cyclobutanecarboxamide (CID 71978867) is N-[3-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]propyl]cyclobutanecarboxamide is O=C(NCCCNC(=O)C1CCC1)NC(c1nccs1)C1CC1.
What is the InChIKey of N-[3-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]propyl]cyclobutanecarboxamide?
The InChIKey is PQGSCYMNAOOGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c21-14(12-3-1-4-12)17-7-2-8-19-16(22)20-13(11-5-6-11)15-18-9-10-23-15/h9-13H,1-8H2,(H,17,21)(H2,19,20,22).
What are the key properties of N-[3-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]propyl]cyclobutanecarboxamide?
N-[3-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]propyl]cyclobutanecarboxamide has a molecular weight of 336.46 g/mol, XLogP of 2.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 71978867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).