N-[3-(dimethylamino)propyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C12H17N5OS2 — CID 135333930

IUPACN-[3-(dimethylamino)propyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCSc1ncnc2sc(C(=O)NCCCN(C)C)nc12
InChIInChI=1S/C12H17N5OS2/c1-17(2)6-4-5-13-9(18)12-16-8-10(19-3)14-7-15-11(8)20-12/h7H,4-6H2,1-3H3,(H,13,18)
InChIKeyHOIKVHKGYGNSDX-UHFFFAOYSA-N
MW311.44 g/mol
LogP1.49
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

N-[3-(dimethylamino)propyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 135333930) has the molecular formula C12H17N5OS2 and a molecular weight of 311.44 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID135333930
Molecular FormulaC12H17N5OS2
Molecular Weight311.44 g/mol
Exact Mass311.09
IUPAC NameN-[3-(dimethylamino)propyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCSc1ncnc2sc(C(=O)NCCCN(C)C)nc12
InChIInChI=1S/C12H17N5OS2/c1-17(2)6-4-5-13-9(18)12-16-8-10(19-3)14-7-15-11(8)20-12/h7H,4-6H2,1-3H3,(H,13,18)
InChIKeyHOIKVHKGYGNSDX-UHFFFAOYSA-N
XLogP1.49
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.44
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-7-(2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 135333745
N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-fluoro-2-propan-2-yloxyaniline
CID 145312366
N-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide
CID 110705198
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344684
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
5-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186081
N-[5-(dimethylamino)pentyl]-6-(18F)fluoropyridazine-3-carboxamide
CID 154026060
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109252856
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
N-[3-(dimethylamino)propyl]-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277733
N-[3-(dimethylamino)propyl]-3-fluoropyridine-2-carboxamide
CID 110474763
N-[6-(dimethylamino)hexyl]-5-(124I)iodopyridine-2-carboxamide
CID 154026042

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 135333930) is N-[3-(dimethylamino)propyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CSc1ncnc2sc(C(=O)NCCCN(C)C)nc12.
What is the InChIKey of N-[3-(dimethylamino)propyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is HOIKVHKGYGNSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS2/c1-17(2)6-4-5-13-9(18)12-16-8-10(19-3)14-7-15-11(8)20-12/h7H,4-6H2,1-3H3,(H,13,18).
What are the key properties of N-[3-(dimethylamino)propyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
N-[3-(dimethylamino)propyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 311.44 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 135333930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).