2-(propan-2-ylamino)-N-[2-[[2-(propan-2-ylamino)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide

C18H24N6O2S2 — CID 15179976

IUPAC2-(propan-2-ylamino)-N-[2-[[2-(propan-2-ylamino)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
SMILESCC(C)NCC(=O)Nc1nc2cc3nc(NC(=O)CNC(C)C)sc3cc2s1
InChIInChI=1S/C18H24N6O2S2/c1-9(2)19-7-15(25)23-17-21-11-5-12-14(6-13(11)27-17)28-18(22-12)24-16(26)8-20-10(3)4/h5-6,9-10,19-20H,7-8H2,1-4H3,(H,21,23,25)(H,22,24,26)
InChIKeyXIHLKYTYBGXOGT-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.78
Rot. Bonds8

About 2-(propan-2-ylamino)-N-[2-[[2-(propan-2-ylamino)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide

2-(propan-2-ylamino)-N-[2-[[2-(propan-2-ylamino)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide (PubChem CID 15179976) has the molecular formula C18H24N6O2S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-[2-[[2-(propan-2-ylamino)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-[2-[[2-(propan-2-ylamino)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
PubChem CID15179976
Molecular FormulaC18H24N6O2S2
Molecular Weight420.56 g/mol
Exact Mass420.14
IUPAC Name2-(propan-2-ylamino)-N-[2-[[2-(propan-2-ylamino)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
SMILESCC(C)NCC(=O)Nc1nc2cc3nc(NC(=O)CNC(C)C)sc3cc2s1
InChIInChI=1S/C18H24N6O2S2/c1-9(2)19-7-15(25)23-17-21-11-5-12-14(6-13(11)27-17)28-18(22-12)24-16(26)8-20-10(3)4/h5-6,9-10,19-20H,7-8H2,1-4H3,(H,21,23,25)(H,22,24,26)
InChIKeyXIHLKYTYBGXOGT-UHFFFAOYSA-N
XLogP2.78
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-(propan-2-ylamino)-N-[2-[[2-(propan-2-ylamino)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide with MolForge

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
CID 813223
2-anilino-N-[2-[(2-anilinoacetyl)amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
CID 15179987
2-(butan-2-ylamino)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 60852655
N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-hydrazinylacetamide
CID 15403567
3-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)butanamide;hydrochloride
CID 119758517
1-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylurea
CID 47173430
N-[2-(2,2-dimethylpropanoylamino)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2,2-dimethylpropanamide
CID 51370683
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 60852509
2-[1-(3-chlorophenyl)ethylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 112801228
(2S)-2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
CID 28661952
N-(1,3-benzothiazol-2-yl)-2-[1-(2-chlorophenyl)ethylamino]acetamide
CID 78825100
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 953037

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-[2-[[2-(propan-2-ylamino)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide?
The IUPAC name of 2-(propan-2-ylamino)-N-[2-[[2-(propan-2-ylamino)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide (CID 15179976) is 2-(propan-2-ylamino)-N-[2-[[2-(propan-2-ylamino)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-[2-[[2-(propan-2-ylamino)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-[2-[[2-(propan-2-ylamino)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide is CC(C)NCC(=O)Nc1nc2cc3nc(NC(=O)CNC(C)C)sc3cc2s1.
What is the InChIKey of 2-(propan-2-ylamino)-N-[2-[[2-(propan-2-ylamino)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide?
The InChIKey is XIHLKYTYBGXOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S2/c1-9(2)19-7-15(25)23-17-21-11-5-12-14(6-13(11)27-17)28-18(22-12)24-16(26)8-20-10(3)4/h5-6,9-10,19-20H,7-8H2,1-4H3,(H,21,23,25)(H,22,24,26).
What are the key properties of 2-(propan-2-ylamino)-N-[2-[[2-(propan-2-ylamino)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide?
2-(propan-2-ylamino)-N-[2-[[2-(propan-2-ylamino)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide has a molecular weight of 420.56 g/mol, XLogP of 2.78, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-[2-[[2-(propan-2-ylamino)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide is sourced from PubChem (CID 15179976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).