(E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]ethyl]but-2-enamide

C14H24N4OS — CID 146100985

IUPAC(E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]ethyl]but-2-enamide
SMILESCc1nc(N(C)C)sc1CCNC(=O)/C=C/CN(C)C
InChIInChI=1S/C14H24N4OS/c1-11-12(20-14(16-11)18(4)5)8-9-15-13(19)7-6-10-17(2)3/h6-7H,8-10H2,1-5H3,(H,15,19)/b7-6+
InChIKeyRMQYDNXJHJOCBC-VOTSOKGWSA-N
MW296.44 g/mol
LogP1.29
Rot. Bonds7

About (E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]ethyl]but-2-enamide

(E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]ethyl]but-2-enamide (PubChem CID 146100985) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]ethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]ethyl]but-2-enamide
PubChem CID146100985
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name(E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]ethyl]but-2-enamide
SMILESCc1nc(N(C)C)sc1CCNC(=O)/C=C/CN(C)C
InChIInChI=1S/C14H24N4OS/c1-11-12(20-14(16-11)18(4)5)8-9-15-13(19)7-6-10-17(2)3/h6-7H,8-10H2,1-5H3,(H,15,19)/b7-6+
InChIKeyRMQYDNXJHJOCBC-VOTSOKGWSA-N
XLogP1.29
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]ethyl]but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]ethyl]but-2-enamide (CID 146100985) is (E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]ethyl]but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]ethyl]but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]ethyl]but-2-enamide is Cc1nc(N(C)C)sc1CCNC(=O)/C=C/CN(C)C.
What is the InChIKey of (E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]ethyl]but-2-enamide?
The InChIKey is RMQYDNXJHJOCBC-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-11-12(20-14(16-11)18(4)5)8-9-15-13(19)7-6-10-17(2)3/h6-7H,8-10H2,1-5H3,(H,15,19)/b7-6+.
What are the key properties of (E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]ethyl]but-2-enamide?
(E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]ethyl]but-2-enamide has a molecular weight of 296.44 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]ethyl]but-2-enamide is sourced from PubChem (CID 146100985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).