2-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-N-tert-butylacetamide

C12H20N4OS — CID 103364746

IUPAC2-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1snc(N)c1C1CC1
InChIInChI=1S/C12H20N4OS/c1-12(2,3)15-8(17)6-14-11-9(7-4-5-7)10(13)16-18-11/h7,14H,4-6H2,1-3H3,(H2,13,16)(H,15,17)
InChIKeyCLVODYQBRFCCTC-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.93
Rot. Bonds4

About 2-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-N-tert-butylacetamide

2-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-N-tert-butylacetamide (PubChem CID 103364746) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-N-tert-butylacetamide
PubChem CID103364746
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1snc(N)c1C1CC1
InChIInChI=1S/C12H20N4OS/c1-12(2,3)15-8(17)6-14-11-9(7-4-5-7)10(13)16-18-11/h7,14H,4-6H2,1-3H3,(H2,13,16)(H,15,17)
InChIKeyCLVODYQBRFCCTC-UHFFFAOYSA-N
XLogP1.93
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-N-tert-butylacetamide?
The IUPAC name of 2-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-N-tert-butylacetamide (CID 103364746) is 2-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-N-tert-butylacetamide is CC(C)(C)NC(=O)CNc1snc(N)c1C1CC1.
What is the InChIKey of 2-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-N-tert-butylacetamide?
The InChIKey is CLVODYQBRFCCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-12(2,3)15-8(17)6-14-11-9(7-4-5-7)10(13)16-18-11/h7,14H,4-6H2,1-3H3,(H2,13,16)(H,15,17).
What are the key properties of 2-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-N-tert-butylacetamide?
2-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-N-tert-butylacetamide has a molecular weight of 268.39 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-N-tert-butylacetamide is sourced from PubChem (CID 103364746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).