4-amino-N-cyclopropyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanamide

C12H20N4OS — CID 66431207

IUPAC4-amino-N-cyclopropyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanamide
SMILESCN(Cc1cscn1)C(CN)CC(=O)NC1CC1
InChIInChI=1S/C12H20N4OS/c1-16(6-10-7-18-8-14-10)11(5-13)4-12(17)15-9-2-3-9/h7-9,11H,2-6,13H2,1H3,(H,15,17)
InChIKeyQRQQFDGCWKXFEQ-UHFFFAOYSA-N
MW268.39 g/mol
LogP0.57
Rot. Bonds7

About 4-amino-N-cyclopropyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanamide

4-amino-N-cyclopropyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanamide (PubChem CID 66431207) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanamide
PubChem CID66431207
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name4-amino-N-cyclopropyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanamide
SMILESCN(Cc1cscn1)C(CN)CC(=O)NC1CC1
InChIInChI=1S/C12H20N4OS/c1-16(6-10-7-18-8-14-10)11(5-13)4-12(17)15-9-2-3-9/h7-9,11H,2-6,13H2,1H3,(H,15,17)
InChIKeyQRQQFDGCWKXFEQ-UHFFFAOYSA-N
XLogP0.57
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-cyclopropyl-3-[methyl(pyridin-2-ylmethyl)amino]butanamide
CID 66431406
3-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide
CID 63583188
4-amino-N-cyclopropyl-3-[methyl(3-methylbutyl)amino]butanamide
CID 66430996
2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)nonane-1,2-diamine
CID 55013958
ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate
CID 64662480
4-amino-N-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]butanamide
CID 81058816
3-amino-N-cyclopropyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379718
N-cyclohexyl-3-(1,3-thiazol-4-yl)propanamide
CID 110679381
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62668943
2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide
CID 79409328
3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 81087719
4-amino-N-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]butanamide
CID 66432240

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanamide?
The IUPAC name of 4-amino-N-cyclopropyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanamide (CID 66431207) is 4-amino-N-cyclopropyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanamide?
The canonical SMILES for 4-amino-N-cyclopropyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanamide is CN(Cc1cscn1)C(CN)CC(=O)NC1CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanamide?
The InChIKey is QRQQFDGCWKXFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-16(6-10-7-18-8-14-10)11(5-13)4-12(17)15-9-2-3-9/h7-9,11H,2-6,13H2,1H3,(H,15,17).
What are the key properties of 4-amino-N-cyclopropyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanamide?
4-amino-N-cyclopropyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanamide has a molecular weight of 268.39 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanamide is sourced from PubChem (CID 66431207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).