1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(furan-2-ylmethyl)urea

C14H20N6O2S — CID 164622259

IUPAC1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(furan-2-ylmethyl)urea
SMILESCc1nc(N)sc1CCC/N=C(\N)NC(=O)NCc1ccco1
InChIInChI=1S/C14H20N6O2S/c1-9-11(23-13(16)19-9)5-2-6-17-12(15)20-14(21)18-8-10-4-3-7-22-10/h3-4,7H,2,5-6,8H2,1H3,(H2,16,19)(H4,15,17,18,20,21)
InChIKeyZIGCJXOUXGMUOW-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.37
Rot. Bonds6

About 1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(furan-2-ylmethyl)urea

1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(furan-2-ylmethyl)urea (PubChem CID 164622259) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(furan-2-ylmethyl)urea
PubChem CID164622259
Molecular FormulaC14H20N6O2S
Molecular Weight336.42 g/mol
Exact Mass336.14
IUPAC Name1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(furan-2-ylmethyl)urea
SMILESCc1nc(N)sc1CCC/N=C(\N)NC(=O)NCc1ccco1
InChIInChI=1S/C14H20N6O2S/c1-9-11(23-13(16)19-9)5-2-6-17-12(15)20-14(21)18-8-10-4-3-7-22-10/h3-4,7H,2,5-6,8H2,1H3,(H2,16,19)(H4,15,17,18,20,21)
InChIKeyZIGCJXOUXGMUOW-UHFFFAOYSA-N
XLogP1.37
TPSA131.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(furan-2-ylmethyl)urea with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 944851
N,N,4-trimethyl-2-[[(5-methyl-2-furanyl)-oxomethyl]amino]-5-thiazolecarboxamide
CID 4653584
2-(Furan-2-carboxamido)-4-methylthiazole-5-carboxylic acid
CID 1433387
1-(furan-2-ylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 5094501
N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 786020
2-{[(2-furoylamino)carbothioyl]amino}-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 843725
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 646758
N-{2-[(Furan-2-ylmethyl)-amino]-4'-methyl-[4,5']bithiazolyl-2'-yl}-benzamide
CID 655046
N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 770997
5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 841544
Ethyl 4-methyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 868243
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2-furyl)acrylamide
CID 896577

Frequently Asked Questions

What is the IUPAC name of 1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(furan-2-ylmethyl)urea (CID 164622259) is 1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(furan-2-ylmethyl)urea is Cc1nc(N)sc1CCC/N=C(\N)NC(=O)NCc1ccco1.
What is the InChIKey of 1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(furan-2-ylmethyl)urea?
The InChIKey is ZIGCJXOUXGMUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2S/c1-9-11(23-13(16)19-9)5-2-6-17-12(15)20-14(21)18-8-10-4-3-7-22-10/h3-4,7H,2,5-6,8H2,1H3,(H2,16,19)(H4,15,17,18,20,21).
What are the key properties of 1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(furan-2-ylmethyl)urea?
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(furan-2-ylmethyl)urea has a molecular weight of 336.42 g/mol, XLogP of 1.37, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 164622259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).