(1Z,3Z)-1-(2-amino-1,3-thiazol-4-yl)buta-1,3-diene-1,4-diamine

C7H10N4S — CID 146205733

IUPAC(1Z,3Z)-1-(2-amino-1,3-thiazol-4-yl)buta-1,3-diene-1,4-diamine
SMILESN/C=C\C=C(/N)c1csc(N)n1
InChIInChI=1S/C7H10N4S/c8-3-1-2-5(9)6-4-12-7(10)11-6/h1-4H,8-9H2,(H2,10,11)/b3-1-,5-2-
InChIKeySITFMJYRFHHLEH-LEWNYYKSSA-N
MW182.25 g/mol
LogP0.50
Rot. Bonds2

About (1Z,3Z)-1-(2-amino-1,3-thiazol-4-yl)buta-1,3-diene-1,4-diamine

(1Z,3Z)-1-(2-amino-1,3-thiazol-4-yl)buta-1,3-diene-1,4-diamine (PubChem CID 146205733) has the molecular formula C7H10N4S and a molecular weight of 182.25 g/mol. Its IUPAC name is (1Z,3Z)-1-(2-amino-1,3-thiazol-4-yl)buta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1Z,3Z)-1-(2-amino-1,3-thiazol-4-yl)buta-1,3-diene-1,4-diamine
PubChem CID146205733
Molecular FormulaC7H10N4S
Molecular Weight182.25 g/mol
Exact Mass182.06
IUPAC Name(1Z,3Z)-1-(2-amino-1,3-thiazol-4-yl)buta-1,3-diene-1,4-diamine
SMILESN/C=C\C=C(/N)c1csc(N)n1
InChIInChI=1S/C7H10N4S/c8-3-1-2-5(9)6-4-12-7(10)11-6/h1-4H,8-9H2,(H2,10,11)/b3-1-,5-2-
InChIKeySITFMJYRFHHLEH-LEWNYYKSSA-N
XLogP0.50
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetaldehyde;methanol
CID 145366322
2-amino-N-(2,6-dibromo-4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 114209117
1-(2-amino-1,3-thiazol-4-yl)ethanone
CID 3111964
2-amino-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide
CID 62786642
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,3-thiazole-4-carboxamide
CID 62788446
5-amino-4-(2-amino-1,3-thiazol-4-yl)-5-oxopent-3-enoic acid
CID 57205921
2-amino-N-(thiadiazol-4-yl)-1,3-thiazole-4-carboxamide
CID 164656956
4-(2-aminoethanimidoyl)-1,3-thiazol-2-amine
CID 163485761
6-(2-amino-1,3-thiazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 130568125
4-[(E)-1-phenylprop-1-en-2-yl]-1,3-thiazol-2-amine
CID 178188914
2-amino-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 55116387
1-(2-amino-1,3-thiazol-4-yl)butan-1-one
CID 13040576

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-(2-amino-1,3-thiazol-4-yl)buta-1,3-diene-1,4-diamine?
The IUPAC name of (1Z,3Z)-1-(2-amino-1,3-thiazol-4-yl)buta-1,3-diene-1,4-diamine (CID 146205733) is (1Z,3Z)-1-(2-amino-1,3-thiazol-4-yl)buta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1Z,3Z)-1-(2-amino-1,3-thiazol-4-yl)buta-1,3-diene-1,4-diamine?
The canonical SMILES for (1Z,3Z)-1-(2-amino-1,3-thiazol-4-yl)buta-1,3-diene-1,4-diamine is N/C=C\C=C(/N)c1csc(N)n1.
What is the InChIKey of (1Z,3Z)-1-(2-amino-1,3-thiazol-4-yl)buta-1,3-diene-1,4-diamine?
The InChIKey is SITFMJYRFHHLEH-LEWNYYKSSA-N. The full InChI is InChI=1S/C7H10N4S/c8-3-1-2-5(9)6-4-12-7(10)11-6/h1-4H,8-9H2,(H2,10,11)/b3-1-,5-2-.
What are the key properties of (1Z,3Z)-1-(2-amino-1,3-thiazol-4-yl)buta-1,3-diene-1,4-diamine?
(1Z,3Z)-1-(2-amino-1,3-thiazol-4-yl)buta-1,3-diene-1,4-diamine has a molecular weight of 182.25 g/mol, XLogP of 0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-(2-amino-1,3-thiazol-4-yl)buta-1,3-diene-1,4-diamine is sourced from PubChem (CID 146205733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).