3-amino-5-[(2,2-dimethyloxan-4-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

C14H24N4O2S — CID 103383766

IUPAC3-amino-5-[(2,2-dimethyloxan-4-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NC1CCOC(C)(C)C1
InChIInChI=1S/C14H24N4O2S/c1-8(2)16-12(19)10-11(15)18-21-13(10)17-9-5-6-20-14(3,4)7-9/h8-9,17H,5-7H2,1-4H3,(H2,15,18)(H,16,19)
InChIKeyMRKMRZNSQNIBBL-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.23
Rot. Bonds4

About 3-amino-5-[(2,2-dimethyloxan-4-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

3-amino-5-[(2,2-dimethyloxan-4-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 103383766) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-amino-5-[(2,2-dimethyloxan-4-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(2,2-dimethyloxan-4-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID103383766
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name3-amino-5-[(2,2-dimethyloxan-4-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NC1CCOC(C)(C)C1
InChIInChI=1S/C14H24N4O2S/c1-8(2)16-12(19)10-11(15)18-21-13(10)17-9-5-6-20-14(3,4)7-9/h8-9,17H,5-7H2,1-4H3,(H2,15,18)(H,16,19)
InChIKeyMRKMRZNSQNIBBL-UHFFFAOYSA-N
XLogP2.23
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(2,2-dimethyloxan-4-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[(2,2-dimethyloxan-4-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 103383766) is 3-amino-5-[(2,2-dimethyloxan-4-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[(2,2-dimethyloxan-4-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[(2,2-dimethyloxan-4-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is CC(C)NC(=O)c1c(N)nsc1NC1CCOC(C)(C)C1.
What is the InChIKey of 3-amino-5-[(2,2-dimethyloxan-4-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is MRKMRZNSQNIBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-8(2)16-12(19)10-11(15)18-21-13(10)17-9-5-6-20-14(3,4)7-9/h8-9,17H,5-7H2,1-4H3,(H2,15,18)(H,16,19).
What are the key properties of 3-amino-5-[(2,2-dimethyloxan-4-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-[(2,2-dimethyloxan-4-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(2,2-dimethyloxan-4-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103383766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).